!A comprehensive combustion chemistry study of 2,5-dimethylhexane !S. Mani Sarathy1*, Tamour Javed1, Florent Karsenty2, Alexander Heufer3, Weijing Wang4, !Sungwoo Park1, Ahmed Elwardany1, Aamir Farooq1, Charles K. Westbrook5, William J. Pitz5, !Matthew A. Oehlschlaeger4, Guillaume Dayma2, Henry J. Curran3, Philippe Dagaut2 ! !1 Clean Combustion Research Center, Division of Physical Sciences and Engineering, King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia !2 CNRS-INSIS, 1C, Ave de la Recherche Scientifique, Orleans Cedex 2, France !3 Combustion Chemistry Centre, School of Chemistry, National University of Ireland Galway, Ireland !4 Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY, USA !5 Lawrence Livermore National Laboratory, Livermore, CA, USA ! ! !Built on top of !S.M. Sarathy, M. Mehl, C. K. Westbrook, W. J. Pitz,C. Togbe, P. Dagaut, H. Wang, M.A. Oehlschlaeger, U. Niemann, K. Seshadri,P.S. Veloo, C. Ji, F.N. Egolfopoulos, T. Lu !Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20 ! Combustion and Flame 2011 ! !Detailed low T and high T mech for species up to C8 elements c h n o ar he end species !***start Aramco Mech 1.3*** h h2 o o2 oh oh* h2o n2 ho2 h2o2 ar co co2 ch2o hco ho2cho hcoh o2cho hocho ocho hoch2o2h hoch2o2 och2o2h hoch2o ch3oh ch2oh ch3o ch3o2h ch3o2 ch4 ch3 ch2 ch2(s) c ch ch* c2h6 c2h5 c2h4 c2h3 c2h2 c2h ch3cho c2h3oh c2h2oh ch3co ch2cho o2ch2cho ho2ch2co ch2co hcco hccoh ch3co3h ch3co3 ch3co2 c2h5oh c2h5o pc2h4oh sc2h4oh o2c2h4oh c2h5o2h c2h5o2 c2h4o2h c2h4o1-2 c2h3o1-2 ch3coch3 ch3coch2 ch3coch2o2 c3ket21 c2h3cho c2h3co c2h5cho c2h5co ch3och3 ch3och2 ch3och2o2 ch2och2o2h ch3och2o2h ch3och2o o2ch2och2o2h ho2ch2ocho och2ocho hoch2oco ch3ocho ch3oco ch2ocho he c3h8 ic3h7 nc3h7 c3h6 c3h5-a c3h5-s c3h5-t c3h4-p c3h4-a c3h3 c3h5o c3h6ooh1-2 c3h6ooh1-3 c3h6ooh2-1 c3h6ooh1-2o2 c3h6ooh1-3o2 c3h6ooh2-1o2 c3h6ooh2-2 nc3h7o2h ic3h7o2h nc3h7o2 ic3h7o2 nc3h7o ic3h7o c3h6o1-2 c3h6o1-3 c3ket12 c3ket13 c3h51-2,3ooh c3h52-1,3ooh c3h6oh hoc3h6o2 ch3chco ac3h5ooh c2h3ooh cc3h4 h2cc c4h10 c4h8-1 c4h8-2 pc4h9 sc4h9 c4h71-1 c4h71-2 c4h71-3 c4h71-4 c4h72-2 c4h6 pc4h9o2h sc4h9o2h pc4h9o2 sc4h9o2 pc4h9o sc4h9o c4h7o c4h8o1-2 c4h8o1-3 c4h8o1-4 c4h8o2-3 pc4h8oh sc4h8oh c4h8oh-1o2 c4h8oh-2o2 c4h8ooh1-1 c4h8ooh1-2 c4h8ooh1-3 c4h8ooh1-4 c4h8ooh2-1 c4h8ooh2-2 c4h8ooh2-3 c4h8ooh2-4 c4h8ooh1-2o2 c4h8ooh1-3o2 c4h8ooh1-4o2 c4h8ooh2-1o2 c4h8ooh2-3o2 c4h8ooh2-4o2 nc4ket12 nc4ket13 nc4ket14 nc4ket21 nc4ket23 nc4ket24 c2h5coch3 c2h5coch2 ch2ch2coch3 ch3chcoch3 c2h3coch3 ch3choococh3 ch2choohcoch3 nc3h7cho nc3h7co c3h6cho-1 c3h6cho-2 c3h6cho-3 c2h5chco sc3h5cho sc3h5co ch2ch2cho ic4h10 ic4h9 tc4h9 ic4h8 ic4h7 tc4h9o2 ic4h9o2 tc4h8o2h-i ic4h8o2h-i ic4h8o2h-t ic4h8o cc4h8o ic4h9o tc4h9o ic4h9o2h tc4h9o2h ic4h7o ic4h8oh io2c4h8oh ic3h7cho tc3h6cho ic3h7co ic3h6cho tc4h8ooh-io2 ic4h8ooh-io2 ic4h8ooh-to2 ic4ketii ic4ketit ic4h7oh ic4h6oh ic3h5cho ic3h5co tc3h6ocho ic3h6co ic4h7ooh tc3h6ohcho tc3h6oh ic3h5oh tc3h6o2cho tc3h6o2hco ic3h5o2hcho ch2cch2oh tc4h8cho o2c4h8cho o2hc4h8co c3h5oh tic4h7q2-i iic4h7q2-t iic4h7q2-i ch2o2h c4h4 c4h3-i c4h3-n c4h612 c4h2 c4h5-i c4h5-n ch3chchco ch2chchcho c4h6o25 c2h3choch2 c4h5-2 c4h6-2 c4h6o23 ch3chchcho c4h4o h2c4o !***end Aramco Mech 1.3*** nc5h12 c5h11-1 c5h11-2 c5h11-3 c5h10-1 c5h10-2 c5h81-3 c5h91-3 c5h91-4 c5h91-5 c5h92-4 c5h92-5 c5h9o1-3 c5h9o2-4 c5h11o2h-1 c5h11o2h-2 c5h11o2h-3 c5h11o2-1 c5h11o2-2 c5h11o2-3 c5h11o-1 c5h11o-2 c5h11o-3 c5h10ooh1-2 c5h10ooh1-3 c5h10ooh1-4 c5h10ooh1-5 c5h10ooh2-1 c5h10ooh2-3 c5h10ooh2-4 c5h10ooh2-5 c5h10ooh3-2 c5h10ooh3-1 c5h10o1-2 c5h10o1-3 c5h10o1-4 c5h10o1-5 c5h10o2-3 c5h10o2-4 c5h10ooh1-2o2 c5h10ooh1-3o2 c5h10ooh1-4o2 c5h10ooh1-5o2 c5h10ooh2-1o2 c5h10ooh2-3o2 c5h10ooh2-4o2 c5h10ooh2-5o2 c5h10ooh3-1o2 c5h10ooh3-2o2 nc5ket12 nc5ket13 nc5ket14 nc5ket15 nc5ket21 nc5ket23 nc5ket24 nc5ket25 nc5ket31 nc5ket32 c5h10oh-1 c5h10oh-2 o2c5h10oh-1 o2c5h10oh-2 ! ! nc6h14 c6h13-1 c6h13-2 c6h13-3 c6h12-1 c6h12-2 c6h12-3 c6h111-3 c6h111-4 c6h111-5 c6h111-6 c6h112-4 c6h112-5 c6h112-6 c6h113-1 c6h11o1-3 c6h11o2-4 c6h12o1-2 c6h12o1-3 c6h12o1-4 c6h12o1-5 c6h12o2-3 c6h12o2-4 c6h12o2-5 c6h12o3-4 c6h13o2h-1 c6h13o2h-2 c6h13o2h-3 c6h13o2-1 c6h13o2-2 c6h13o2-3 c6h12ooh1-2 c6h12ooh1-3 c6h12ooh1-4 c6h12ooh1-5 c6h12ooh2-1 c6h12ooh2-3 c6h12ooh2-4 c6h12ooh2-5 c6h12ooh2-6 c6h12ooh3-1 c6h12ooh3-2 c6h12ooh3-4 c6h12ooh3-5 c6h12ooh3-6 c6h12ooh1-2o2 c6h12ooh1-3o2 c6h12ooh1-4o2 c6h12ooh1-5o2 c6h12ooh2-1o2 c6h12ooh2-3o2 c6h12ooh2-4o2 c6h12ooh2-5o2 c6h12ooh2-6o2 c6h12ooh3-1o2 c6h12ooh3-2o2 c6h12ooh3-4o2 c6h12ooh3-5o2 c6h12ooh3-6o2 nc6ket12 nc6ket13 nc6ket14 nc6ket15 nc6ket21 nc6ket23 nc6ket24 nc6ket25 nc6ket26 nc6ket31 nc6ket32 nc6ket34 nc6ket35 nc6ket36 c6h13o-1 c6h13o-2 c6h13o-3 c6h12oh-1 c6h12oh-2 c6h12oh-3 o2c6h12oh-1 o2c6h12oh-2 o2c6h12oh-3 nc4h9cho nc4h9co c4h8cho-1 c4h8cho-2 c4h8cho-3 c4h8cho-4 ac3h5cho ac3h5co c2h3chcho nc3h7coch3 nc3h7coch2 c3h6coch3-1 c3h6coch3-2 c3h6coch3-3 c2h5coc2h5 c2h5coc2h4p c2h5coc2h4s c2h5coc2h3 pc2h4coc2h3 sc2h4coc2h3 nc7h16 c7h15-1 c7h15-2 c7h15-3 c7h15-4 c7h14-1 c7h14-2 c7h14-3 c7h131-3 c7h131-4 c7h131-5 c7h131-6 c7h131-7 c7h132-4 c7h132-5 c7h132-6 c7h132-7 c7h133-1 c7h133-5 c7h133-6 c7h133-7 c7h13o1-3 c7h13o2-4 c7h13o3-5 c7h15o2-1 c7h15o2-2 c7h15o2-3 c7h15o2-4 c7h15o2h-1 c7h15o2h-2 c7h15o2h-3 c7h15o2h-4 c7h15o-1 c7h15o-2 c7h15o-3 c7h15o-4 c7h14ooh1-2 c7h14ooh1-3 c7h14ooh1-4 c7h14ooh1-5 c7h14ooh2-1 c7h14ooh2-3 c7h14ooh2-4 c7h14ooh2-5 c7h14ooh2-6 c7h14ooh3-1 c7h14ooh3-2 c7h14ooh3-4 c7h14ooh3-5 c7h14ooh3-6 c7h14ooh3-7 c7h14ooh4-1 c7h14ooh4-2 c7h14ooh4-3 c7h14ooh1-2o2 c7h14ooh1-3o2 c7h14ooh1-4o2 c7h14ooh1-5o2 c7h14ooh2-1o2 c7h14ooh2-3o2 c7h14ooh2-4o2 c7h14ooh2-5o2 c7h14ooh2-6o2 c7h14ooh3-1o2 c7h14ooh3-2o2 c7h14ooh3-4o2 c7h14ooh3-5o2 c7h14ooh3-6o2 c7h14ooh3-7o2 c7h14ooh4-1o2 c7h14ooh4-2o2 c7h14ooh4-3o2 c7h14o1-2 c7h14o1-3 c7h14o1-4 c7h14o1-5 c7h14o2-3 c7h14o2-4 c7h14o2-5 c7h14o2-6 c7h14o3-4 c7h14o3-5 nc7ket12 nc7ket13 nc7ket14 nc7ket15 nc7ket21 nc7ket23 nc7ket24 nc7ket25 nc7ket26 nc7ket31 nc7ket32 nc7ket34 nc7ket35 nc7ket36 nc7ket37 nc7ket41 nc7ket42 nc7ket43 c7h14oh-1 c7h14oh-2 c7h14oh-3 o2c7h14oh-1 o2c7h14oh-2 o2c7h14oh-3 nc5h11cho nc5h11co c5h10cho-1 c5h10cho-2 c5h10cho-3 c5h10cho-4 c5h10cho-5 c4h7cho1-4 c4h7co1-4 c4h6cho1-43 c4h6cho1-44 nc4h9coch3 nc4h9coch2 c4h8coch3-1 c4h8coch3-2 c4h8coch3-3 c4h8coch3-4 c4h7ooh1-4 c4h7o1-4 c5h9ooh1-4 c5h9o1-4 c5h9ooh1-5 c5h9o1-5 c6h11ooh1-4 c6h11o1-4 c6h11ooh1-5 c6h11o1-5 c5h91-1 c4h7cho1-1 c4h7co1-1 c4h6cho1-14 c4h6cho1-13 nc3h7coc2h5 c3h6coc2h5-1 c3h6coc2h5-2 c3h6coc2h5-3 nc3h7coc2h4p nc3h7coc2h4s chchcho c6h101-3 c6h101-4 c6h101-5 c6h102-4 etes1 mvox vthf edhf etc6 kes1 c6h111o2h-3 c6h111o2h-4 c6h111o2h-5 c6h111o2h-6 c6h112o2h-4 c6h112o2h-5 c6h112o2h-6 c6h113o2h-2 c6h113o2h-1 nc6d1ket34 nc6d1ket35 nc6d1ket36 nc6d1ket43 nc6d1ket45 nc6d1ket46 nc6d1ket53 nc6d1ket54 nc6d1ket56 nc6d1ket63 nc6d1ket64 nc6d1ket65 nc6d2ket45 nc6d2ket46 nc6d2ket54 nc6d2ket56 nc6d2ket64 nc6d2ket65 nc6d3ket12 nc6d3ket21 c6h112o2-1 c6h111o2-3 c6h111o2-4 c6h111o2-5 c6h111o2-6 c6h112o2-4 c6h112o2-5 c6h112o2-6 c6h113o2-1 c6h113o2-2 c6h101ooh3-4 c6h101ooh3-5 c6h101ooh3-6 c6h101ooh4-3 c6h101ooh4-5 c6h101ooh4-6 c6h101ooh5-3 c6h101ooh5-4 c6h101ooh5-6 c6h101ooh6-3 c6h101ooh6-4 c6h101ooh6-5 c6h101ooh3-4o2 c6h101ooh3-5o2 c6h101ooh3-6o2 c6h101ooh4-3o2 c6h101ooh4-5o2 c6h101ooh4-6o2 c6h101ooh5-3o2 c6h101ooh5-4o2 c6h101ooh5-6o2 c6h101ooh6-3o2 c6h101ooh6-4o2 c6h101ooh6-5o2 c6h102ooh5-4 c6h103ooh1-2 c6h102ooh4-5 c6h102ooh4-6 c6h102ooh5-6 c6h102ooh6-4 c6h102ooh6-5 c6h103ooh2-1 c6h102ooh4-5o2 c6h102ooh4-6o2 c6h102ooh5-4o2 c6h102ooh5-6o2 c6h102ooh6-4o2 c6h102ooh6-5o2 c6h103ooh2-1o2 c6h103ooh1-2o2 c2h3coc3h7 c5h81-4 c5h91o2-3 c5h91o2-4 c5h91o2-5 c5h81ooh3-4 c5h81ooh3-5 c5h81ooh4-3 c5h81ooh4-5 c5h81ooh5-4 c5h81ooh5-3 c5h92o2-1 c5h81ooh3-4o2 c5h81ooh3-5o2 c5h81ooh4-3o2 c5h81ooh4-5o2 c5h81ooh5-3o2 c5h81ooh5-4o2 nc5d1ket34 nc5d1ket35 nc5d1ket43 nc5d1ket45 nc5d1ket53 nc5d1ket54 cy3c5h8o ! ! ! ic5ketdb ! ! n-alkane and alkyl radical species ! nc8h18 c8h17-1 c8h17-2 c8h17-3 c8h17-4 ! ! ! olefin species ! c8h16-1 c8h16-2 c8h16-3 c8h16-4 ! !! ! ! ! nc3h7coc2h3 nc4h9coc2h3 c5h11coc2h3 c6h13coc2h3 ! nc3h7chco nc4h9chco ! ! large aldehydes ! ! nc8h17cho nc7h15cho nc6h13cho nc8h17co nc7h15co nc6h13co c4h8cho4-2 ! ! ic8h17cho ic7h15cho ic6h13cho ic5h11cho ic4h9cho ic8h17co ic7h15co ic6h13co ic5h11co ic4h9co ! ! ! ! nc8h17coch2 nc7h15coch2 nc6h13coch2 nc5h11coch2 ! ! ic8h17coch2 ic7h15coch2 ic6h13coch2 ic5h11coch2 ic4h9coch2 ic3h7coch2 ! ! nc8h17coc2h4p nc7h15coc2h4p nc6h13coc2h4p nc5h11coc2h4p nc4h9coc2h4p ! ! ic8h17coc2h4p ic7h15coc2h4p ic6h13coc2h4p ic5h11coc2h4p ic4h9coc2h4p ! ! nc8h17coc2h3 nc7h15coc2h3 nc6h13coc2h3 nc5h11coc2h3 ! ! ! nc8h17coc3h6p nc7h15coc3h6p nc6h13coc3h6p nc5h11coc3h6p nc4h9coc3h6p nc3h7coc3h6p ! ! ic8h17coc3h6p ic7h15coc3h6p ic6h13coc3h6p ic5h11coc3h6p ic4h9coc3h6p ic3h7coc3h6p ! ! ! nc3h7chco nc4h9chco nc5h11chco nc6h13chco nc7h15chco ! ic3h7chco ch3chcho ch3chocho ic3h7coc2h3 ic3h6coc2h3 tc3h6coc2h3 ! ! ! alkenyl radicals ! c8h15 ! ! ! c5 and c6 2-methylalkyl radicals, alkenes, and alkenyl radicals ! formed by decomposition of larger 2-methylalkanes ! The names of these species do not follow the same convention as the ! C7 and greater 2-methylalkanes since these are part of the base mechanism ac6h13 bc6h13 cc6h13 ac6h12 bc6h12 ec6h13 !c6h13-2e dc6h13 !c6h13-2d dc6h12 !c6h12-4-2 cc6h12 !c6h12-3-2 ic6h11 !c6h11-1-2 ac5h11 !c5h11-2a bc5h11 !c5h11-2b cc5h11 !c5h11-2c dc5h11 !c5h11-2d ac5h10 !c5h11-1-2 bc5h10 !c5h10-2-2 cc5h10 !c5h10-3-2 ic5h9 !c5h9-1-1 lc6h13 !c6h13-3a or c6h13-3e mc6h13 !c6h13-3b nc6h13 !c6h13-3c oc6h13 !c6h13-3d lc6h12 !c6h12-1-3 mc6h12 !c6h12-2-3 nc6h12 !c6h12-z-3 c6h11-3 !c6h11-1-3 ! ! ! ! ! ! 2-methylhexane ! 2-methylhexane and its corresponding alkyl radicals; ! radical site denoted by letter c7h16-2 c7h15-2a c7h15-2b c7h15-2c c7h15-2d c7h15-2e c7h15-2f ! ! all 2-methylhexenes and its corresponding alkenyl radicals ! radical site denoted by letter c7h14-1-2 c7h14-2-2 c7h14-3-2 c7h14-4-2 c7h14-5-2 ! c7h13-1-2 !this species is a lump of the various c7h13-1-2 radicals below ! ! ! ! ! 2-methylheptane ! 2-methylheptane and its corresponding alkyl radicals; ! radical site denoted by letter c8h18-2 c8h17-2a c8h17-2b c8h17-2c c8h17-2d c8h17-2e c8h17-2f c8h17-2g ! ! all 2-methylheptenes and its corresponding alkenyl radicals ! radical site denoted by letter c8h16-1-2 c8h16-2-2 c8h16-3-2 c8h16-4-2 c8h16-5-2 c8h16-6-2 ! c8h15-1-2 !this species is a lump of the various c8h15-1-2 radicals below ! ! ! ! ******** symmetric dimethyl alkanes ********** ! ! 2,(n-1)-dimethyl alkanes ! ! 2,4-dimethyl pentane ! ! ! ! c7h16-24 c7h15-24a c7h15-24b c7h15-24c ! ! all 2,4-dimethylpentenes and its corresponding alkenyl radicals ! radical site denoted by letter c7h14-1-24 c7h14-2-24 ! c7h13-1-24 !this species is a lump of the various alkenyl radicals ! ! ! 2,5-dimethylhexane ! 2,5-dimethylhexane and its corresponding alkyl radicals; ! radical site denoted by letter ! c8h18-25 c8h17-25a c8h17-25b c8h17-25c ! ! all 2,5-dimethylhexenes and its corresponding alkenyl radicals ! radical site denoted by letter c8h16-1-25 c8h16-2-25 c8h16-3-25 ! c8h15-1-25 ! ! 2,5-methylhexane ro. species; radical site on the oxygen c8h17o-1-25 c8h17o-2-25 c8h17o-3-25 ! ! 2,5-methylhexane roo. species; radical site on the oxygen c8h17oo-1-25 c8h17oo-2-25 c8h17oo-3-25 ! ! 2,5-methylhexane rooh species; no radical sites c8h17ooh-1-25 c8h17ooh-2-25 c8h17ooh-3-25 ! ! ! 2,5-methylhexane .qooh species; c8h16-1denoted as c8 ! a hyphen is not used to indicate ooh position ! radical site denoted by letter; ! includes transition state rings of 5, 6, 7, and 8 atoms c8ooh1-25a c8ooh1-25b c8ooh1-25c c8ooh1-25d c8ooh1-25e ! c8ooh2-25a c8ooh2-25c c8ooh2-25d c8ooh2-25e c8ooh2-25f ! c8ooh3-25a c8ooh3-25b c8ooh3-25d c8ooh3-25e c8ooh3-25f ! ! 2,5-methylhexane .ooqooh species; c8h16-1denoted as c8 ! a hyphen is not used to indicate ooh position ! a hyphen is not used to indicate oo position ! radical site on the oxygen in o2 c8ooh1-oo1-25 c8ooh1-oo2-25 c8ooh1-oo3-25 c8ooh1-oo4-25 c8ooh1-oo5-25 ! c8ooh2-oo1-25 c8ooh2-oo3-25 c8ooh2-oo4-25 c8ooh2-oo5-25 c8ooh2-oo6-25 ! c8ooh3-oo1-25 c8ooh3-oo2-25 c8ooh3-oo4-25 c8ooh3-oo5-25 c8ooh3-oo6-25 ! ! ! 2,5-methylhexane cyclic ether species; no radical sites c8h16o1-1-25 c8h16o1-2-25 c8h16o1-3-25 c8h16o1-4-25 c8h16o1-5-25 ! c8h16o2-3-25 c8h16o2-4-25 c8h16o2-5-25 ! c8h16o3-4-25 ! ! ! 2,5-methylhexane keto-hydroperoxide (ket) species; c8h16-1denoted as c8 ! there are no radical sites ! (1st number is ketene group; 2nd number is ooh group) ! c8ket1-1-25 c8ket1-2-25 c8ket1-3-25 c8ket1-4-25 c8ket1-5-25 ! c8ket3-1-25 c8ket3-2-25 c8ket3-4-25 c8ket3-5-25 c8ket3-6-25 ! ! ! ! ! end reactions !****Start AramcoMech 1.3**** h+o2<=>o+oh 1.040e+014 0.000 15286.0 o+h2<=>h+oh 5.080e+004 2.670 6292.0 oh+h2<=>h+h2o 4.380e+013 0.000 6990.0 o+h2o<=>oh+oh 2.970e+006 2.020 13400.0 h2+m<=>h+h+m 4.577e+019 -1.400 104400.0 h2/ 2.50/ h2o/ 12.00/ co/ 1.90/ co2/ 3.80/ he/ 0.83/ ch4/ 2.00/ c2h6/ 3.00/ o+o+m<=>o2+m 6.165e+015 -0.500 0.0 h2/ 2.50/ h2o/ 12.00/ ar/ 0.83/ co/ 1.90/ co2/ 3.80/ he/ 0.83/ ch4/ 2.00/ c2h6/ 3.00/ o+h+m<=>oh+m 4.714e+018 -1.000 0.0 h2/ 2.50/ h2o/ 12.00/ ar/ 0.75/ co/ 1.50/ co2/ 2.00/ he/ 0.75/ ch4/ 2.00/ c2h6/ 3.00/ h+oh+m<=>h2o+m 3.500e+022 -2.000 0.0 h2/ 0.73/ h2o/ 3.65/ ch4/ 2.00/ c2h6/ 3.00/ ar/ 0.38/ h+o2(+m)<=>ho2(+m) 4.650e+012 0.440 0.0 low/ 1.737e+019 -1.230 0.0/ troe/ 6.700e-001 1.000e-030 1.000e+030 1.000e+030/ h2/ 1.30/ co/ 1.90/ co2/ 3.80/ he/ 0.00/ h2o/ 10.00/ ar/ 0.00/ ch4/ 2.00/ c2h6/ 3.00/ h+o2(+ar)<=>ho2(+ar) 4.650e+012 0.440 0.0 low/ 6.810e+018 -1.200 0.0/ troe/ 7.000e-001 1.000e-030 1.000e+030 1.000e+030/ h+o2(+he)<=>ho2(+he) 4.650e+012 0.440 0.0 low/ 9.192e+018 -1.200 0.0/ troe/ 5.900e-001 1.000e-030 1.000e+030 1.000e+030/ ho2+h<=>oh+oh 7.079e+013 0.000 295.0 h2+o2<=>h+ho2 5.176e+005 2.433 53502.0 ho2+o<=>oh+o2 3.250e+013 0.000 0.0 ho2+oh<=>h2o+o2 2.456e+013 0.000 -497.0 ho2+ho2<=>h2o2+o2 1.300e+011 0.000 -1630.0 dup ho2+ho2<=>h2o2+o2 3.658e+014 0.000 12000.0 dup h2o2(+h2o)<=>oh+oh(+h2o) 2.000e+012 0.900 48749.0 low/ 1.865e+025 -2.300 48749.0/ troe/ 5.100e-001 1.000e-030 1.000e+030/ h2o2(+m)<=>oh+oh(+m) 2.000e+012 0.900 48749.0 low/ 2.490e+024 -2.300 48749.0/ troe/ 4.300e-001 1.000e-030 1.000e+030/ h2o/ 0.00/ co2/ 1.60/ n2/ 1.50/ o2/ 1.20/ he/ 0.65/ h2o2/ 7.70/ h2/ 3.70/ co/ 2.80/ h2o2+h<=>h2o+oh 2.410e+013 0.000 3970.0 h2o2+h<=>h2+ho2 2.150e+010 1.000 6000.0 h2o2+o<=>oh+ho2 9.550e+006 2.000 3970.0 h2o2+oh<=>h2o+ho2 1.740e+012 0.000 318.0 dup h2o2+oh<=>h2o+ho2 7.590e+013 0.000 7269.0 dup co+o(+m)<=>co2(+m) 1.362e+010 0.000 2384.0 low/ 1.173e+024 -2.790 4191.0/ h2/ 2.00/ h2o/ 12.00/ co/ 1.75/ co2/ 3.60/ ar/ 0.70/ he/ 0.70/ co+o2<=>co2+o 1.119e+012 0.000 47700.0 co+oh<=>co2+h 7.015e+004 2.053 -355.7 dup co+oh<=>co2+h 5.757e+012 -0.664 331.8 dup co+ho2<=>co2+oh 1.570e+005 2.180 17940.0 hco+m<=>h+co+m 5.700e+011 0.660 14870.0 h2/ 2.00/ h2o/ 12.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ hco+o2<=>co+ho2 7.580e+012 0.000 410.0 hco+h<=>co+h2 7.340e+013 0.000 0.0 hco+o<=>co+oh 3.020e+013 0.000 0.0 hco+o<=>co2+h 3.000e+013 0.000 0.0 hco+oh<=>co+h2o 1.020e+014 0.000 0.0 hco+ho2=>co2+h+oh 3.000e+013 0.000 0.0 hco+hco=>h2+co+co 3.000e+012 0.000 0.0 hco+ch3<=>ch4+co 2.650e+013 0.000 0.0 ch2o+o2<=>hco+ho2 8.070e+015 0.000 53420.0 hco+o2<=>o2cho 1.200e+011 0.000 -1100.0 ch2o+o2cho<=>hco+ho2cho 1.990e+012 0.000 11660.0 ocho+oh<=>ho2cho 2.000e+013 0.000 0.0 h+co2<=>ocho 7.500e+013 0.000 29000.0 hco+hco<=>ch2o+co 1.800e+013 0.000 0.0 h+o+m<=>m+oh* 1.500e+013 0.000 5975.0 h2/ 1.00/ h2o/ 6.50/ o2/ 0.40/ n2/ 0.40/ ar/ 0.35/ oh*+h2o<=>oh+h2o 5.930e+012 0.500 -860.0 oh*+h2<=>oh+h2 2.950e+012 0.500 -444.0 oh*+n2<=>oh+n2 1.080e+011 0.500 -1242.0 oh*+oh<=>oh+oh 6.010e+012 0.500 -764.0 oh*+h<=>oh+h 1.310e+012 0.500 -167.0 oh*+ar<=>oh+ar 1.690e+012 0.000 4135.0 oh*<=>oh 1.450e+006 0.000 0.0 oh*+o2<=>oh+o2 2.100e+012 0.500 -478.0 oh*+co2<=>oh+co2 2.750e+012 0.500 -968.0 oh*+co<=>oh+co 3.230e+012 0.500 -787.0 oh*+ch4<=>oh+ch4 3.360e+012 0.500 -635.0 ch+o2<=>co+oh* 4.040e+013 0.000 0.0 c2h+o<=>co+ch* 6.200e+012 0.000 0.0 c+h+m<=>ch*+m 6.000e+014 0.000 6940.0 c2h+o2<=>co2+ch* 2.170e+010 0.000 0.0 ch*+ar<=>ch+ar 4.000e+011 0.500 0.0 ch*+h2o<=>ch+h2o 5.300e+013 0.000 0.0 ch*+co<=>ch+co 2.440e+012 0.500 0.0 ch*+co2<=>ch+co2 2.410e-001 4.300 -1694.0 ch*+o2<=>ch+o2 2.480e+006 2.140 -1720.0 ch*+h2<=>ch+h2 1.470e+014 0.000 1361.0 ch*+ch4<=>ch+ch4 1.730e+013 0.000 167.0 ch*<=>ch 1.860e+006 0.000 0.0 ch*+n2<=>ch+n2 3.030e+002 3.400 -381.0 hco+h(+m)<=>ch2o(+m) 1.090e+012 0.480 -260.0 low/ 1.350e+024 -2.570 1425.0/ troe/ 7.824e-001 2.710e+002 2.755e+003 6.570e+003/ h2/ 2.00/ h2o/ 6.00/ ar/ 0.70/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ he/ 0.70/ co+h2(+m)<=>ch2o(+m) 4.300e+007 1.500 79600.0 low/ 5.070e+027 -3.420 84348.0/ troe/ 9.320e-001 1.970e+002 1.540e+003 1.030e+004/ h2/ 2.00/ h2o/ 6.00/ ar/ 0.70/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ he/ 0.70/ ch2o+oh<=>hco+h2o 7.820e+007 1.630 -1055.0 ch2o+h<=>hco+h2 5.740e+007 1.900 2740.0 ch2o+o<=>hco+oh 6.260e+009 1.150 2260.0 ch2o+ch3<=>hco+ch4 3.830e+001 3.360 4312.0 ch2o+ho2<=>hco+h2o2 1.880e+004 2.700 11520.0 ch2o+oh<=>hoch2o 4.500e+015 -1.100 0.0 hoch2o<=>hocho+h 1.000e+014 0.000 14900.0 hocho<=>co+h2o 2.450e+012 0.000 60470.0 hocho<=>co2+h2 2.950e+009 0.000 48520.0 ocho+ho2<=>hocho+o2 3.500e+010 0.000 -3275.0 hocho+oh=>h2o+co2+h 2.620e+006 2.060 916.0 hocho+oh=>h2o+co+oh 1.850e+007 1.510 -962.0 hocho+h=>h2+co2+h 4.240e+006 2.100 4868.0 hocho+h=>h2+co+oh 6.030e+013 -0.350 2988.0 hocho+ch3=>ch4+co+oh 3.900e-007 5.800 2200.0 ocho+h2o2<=>hocho+ho2 2.400e+012 0.000 10000.0 hocho+ho2=>h2o2+co+oh 1.000e+012 0.000 11920.0 hocho+o=>co+oh+oh 1.770e+018 -1.900 2975.0 ch2o+ocho<=>hocho+hco 5.600e+012 0.000 13600.0 ch3o(+m)<=>ch2o+h(+m) 6.800e+013 0.000 26170.0 low/ 1.867e+025 -3.000 24307.0/ troe/ 9.000e-001 2.500e+003 1.300e+003 1.000e+099/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ ch3o+o2<=>ch2o+ho2 4.380e-019 9.500 -5501.0 ch2o+ch3o<=>ch3oh+hco 6.620e+011 0.000 2294.0 ch3+ch3oh<=>ch4+ch3o 1.440e+001 3.100 6935.0 ch3o+ch3<=>ch2o+ch4 1.200e+013 0.000 0.0 ch3o+h<=>ch2o+h2 2.000e+013 0.000 0.0 ch3o+ho2<=>ch2o+h2o2 3.010e+011 0.000 0.0 ch2o+h(+m)<=>ch2oh(+m) 5.400e+011 0.454 3600.0 low/ 1.270e+032 -4.820 6530.0/ troe/ 7.187e-001 1.030e+002 1.291e+003 4.160e+003/ h2/ 2.00/ h2o/ 6.00/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ ch2oh+o2<=>ch2o+ho2 1.510e+015 -1.000 0.0 dup ch2oh+o2<=>ch2o+ho2 2.410e+014 0.000 5017.0 dup ch2oh+h<=>ch2o+h2 6.000e+012 0.000 0.0 ch2oh+ho2<=>ch2o+h2o2 1.200e+013 0.000 0.0 ch2oh+hco<=>ch2o+ch2o 1.800e+014 0.000 0.0 ch2oh+ch3o<=>ch2o+ch3oh 2.400e+013 0.000 0.0 ch3oh+hco<=>ch2oh+ch2o 9.630e+003 2.900 13110.0 oh+ch2oh<=>h2o+ch2o 2.400e+013 0.000 0.0 o+ch2oh<=>oh+ch2o 4.200e+013 0.000 0.0 ch2oh+ch2oh<=>ch2o+ch3oh 3.000e+012 0.000 0.0 ch2oh+ho2<=>hoch2o+oh 1.000e+013 0.000 0.0 ch2o+ho2<=>och2o2h 1.500e+011 0.000 11900.0 och2o2h<=>hoch2o2 3.000e+011 0.000 8600.0 hoch2o2+ho2<=>hoch2o2h+o2 3.500e+010 0.000 -3275.0 hoch2o+oh<=>hoch2o2h 1.000e+013 0.000 0.0 ch3oh(+m)<=>ch3+oh(+m) 2.084e+018 -0.615 92540.6 low/ 1.500e+043 -6.995 97992.2/ troe/ -4.748e-001 3.558e+004 1.116e+003 9.023e+003/ ch3oh(+m)<=>ch2(s)+h2o(+m) 3.121e+018 -1.017 91712.0 low/ 1.430e+047 -8.227 99417.1/ troe/ 2.545e+000 3.290e+003 4.732e+004 4.711e+004/ ch3oh(+m)<=>ch2oh+h(+m) 7.896e-003 5.038 84467.4 low/ 3.390e+042 -7.244 105230.3/ troe/ -7.391e+001 3.705e+004 4.150e+004 5.220e+003/ ch3oh+h<=>ch2oh+h2 3.070e+005 2.550 5440.0 ch3oh+h<=>ch3o+h2 1.990e+005 2.560 10300.0 ch3oh+o<=>ch2oh+oh 3.880e+005 2.500 3080.0 ch3oh+oh<=>ch2oh+h2o 3.080e+004 2.650 -806.7 ch3oh+oh<=>ch3o+h2o 1.500e+002 3.030 -763.0 ch3oh+o2<=>ch2oh+ho2 2.050e+013 0.000 44900.0 ch3oh+ho2<=>ch2oh+h2o2 1.080e+004 2.550 10530.0 ch3oh+ch3<=>ch2oh+ch4 3.190e+001 3.170 7172.0 ch3o+ch3oh<=>ch2oh+ch3oh 3.000e+011 0.000 4074.0 ch3o+ch3o<=>ch3oh+ch2o 6.030e+013 0.000 0.0 ch3+h(+m)<=>ch4(+m) 1.270e+016 -0.630 383.0 low/ 2.477e+033 -4.760 2440.0/ troe/ 7.830e-001 7.400e+001 2.941e+003 6.964e+003/ h2/ 2.00/ h2o/ 6.00/ ar/ 0.70/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ he/ 0.70/ ch4+h<=>ch3+h2 6.140e+005 2.500 9587.0 ch4+oh<=>ch3+h2o 5.830e+004 2.600 2190.0 ch4+o<=>ch3+oh 1.020e+009 1.500 8600.0 ch4+ho2<=>ch3+h2o2 1.695e+001 3.740 21010.0 ch4+ch2<=>ch3+ch3 2.460e+006 2.000 8270.0 ch3+oh<=>ch2(s)+h2o 4.936e+014 -0.669 -445.8 plog/ 0.0100 4.936e+014 -0.669 -445.8/ plog/ 0.1000 1.207e+015 -0.778 -175.6/ plog/ 1.0000 5.282e+017 -1.518 1772.0/ plog/ 10.0000 4.788e+023 -3.155 7003.0/ plog/ 100.0000 8.433e+019 -1.962 8244.0/ ch3+oh<=>ch2o+h2 3.502e+005 1.441 -3244.0 plog/ 0.0100 3.502e+005 1.441 -3244.0/ plog/ 0.1000 8.854e+005 1.327 -2975.0/ plog/ 1.0000 1.650e+007 0.973 -2010.0/ plog/ 10.0000 5.374e+009 0.287 280.0/ plog/ 100.0000 9.494e+018 -2.199 9769.0/ ch3+oh<=>ch2oh+h 1.621e+010 0.965 3210.0 plog/ 0.0100 1.621e+010 0.965 3214.0/ plog/ 0.1000 1.807e+010 0.950 3247.0/ plog/ 1.0000 4.686e+010 0.833 3566.0/ plog/ 10.0000 1.525e+013 0.134 5641.0/ plog/ 100.0000 3.590e+014 -0.186 8601.0/ ch3+oh<=>h+ch3o 1.186e+009 1.016 11940.0 plog/ 0.0100 1.186e+009 1.016 11940.0/ plog/ 0.1000 1.188e+009 1.016 11940.0/ plog/ 1.0000 1.230e+009 1.011 11950.0/ plog/ 10.0000 1.798e+009 0.965 12060.0/ plog/ 100.0000 5.242e+010 0.551 13070.0/ ch3+oh<=>hcoh+h2 8.674e+008 0.787 -3046.0 plog/ 0.0100 8.674e+008 0.787 -3046.0/ plog/ 0.1000 3.115e+009 0.630 -2669.0/ plog/ 1.0000 1.557e+011 0.156 -1368.0/ plog/ 10.0000 1.704e+021 -2.641 6412.0/ plog/ 100.0000 7.250e+020 -2.402 9639.0/ hcoh+oh<=>hco+h2o 2.000e+013 0.000 0.0 hcoh+h<=>ch2o+h 2.000e+014 0.000 0.0 hcoh+o=>co2+h+h 5.000e+013 0.000 0.0 hcoh+o=>co+oh+h 3.000e+013 0.000 0.0 hcoh+o2=>co2+h+oh 5.000e+012 0.000 0.0 hcoh+o2<=>co2+h2o 3.000e+013 0.000 0.0 ch3+ho2<=>ch3o+oh 1.000e+012 0.269 -687.5 ch3+ho2<=>ch4+o2 1.160e+005 2.230 -3022.0 ch3+o<=>ch2o+h 5.540e+013 0.050 -136.0 ch3+o2<=>ch3o+o 7.546e+012 0.000 28320.0 ch3+o2<=>ch2o+oh 2.641e+000 3.283 8105.0 ch3+o2(+m)<=>ch3o2(+m) 7.812e+009 0.900 0.0 low/ 6.850e+024 -3.000 0.0/ troe/ 6.000e-001 1.000e+003 7.000e+001 1.700e+003/ ch3o2+ch2o<=>ch3o2h+hco 1.990e+012 0.000 11660.0 ch4+ch3o2<=>ch3+ch3o2h 9.600e-001 3.770 17810.0 ch3oh+ch3o2<=>ch2oh+ch3o2h 1.810e+012 0.000 13710.0 ch3o2+ch3<=>ch3o+ch3o 5.080e+012 0.000 -1411.0 ch3o2+ho2<=>ch3o2h+o2 2.470e+011 0.000 -1570.0 ch3o2+ch3o2=>ch2o+ch3oh+o2 3.110e+014 -1.610 -1051.0 ch3o2+ch3o2=>o2+ch3o+ch3o 1.400e+016 -1.610 1860.0 ch3o2+h<=>ch3o+oh 9.600e+013 0.000 0.0 ch3o2+o<=>ch3o+o2 3.600e+013 0.000 0.0 ch3o2+oh<=>ch3oh+o2 6.000e+013 0.000 0.0 ch3o2h<=>ch3o+oh 6.310e+014 0.000 42300.0 ch2(s)+n2<=>ch2+n2 1.500e+013 0.000 600.0 ch2(s)+ar<=>ch2+ar 9.000e+012 0.000 600.0 ch2(s)+h<=>ch+h2 3.000e+013 0.000 0.0 ch2(s)+o<=>co+h2 1.500e+013 0.000 0.0 ch2(s)+o<=>hco+h 1.500e+013 0.000 0.0 ch2(s)+oh<=>ch2o+h 3.000e+013 0.000 0.0 ch2(s)+h2<=>ch3+h 7.000e+013 0.000 0.0 ch2(s)+o2=>h+oh+co 2.800e+013 0.000 0.0 ch2(s)+o2<=>co+h2o 1.200e+013 0.000 0.0 ch2(s)+h2o<=>ch2+h2o 3.000e+013 0.000 0.0 ch2(s)+co<=>ch2+co 9.000e+012 0.000 0.0 ch2(s)+co2<=>ch2+co2 7.000e+012 0.000 0.0 ch2(s)+co2<=>ch2o+co 1.400e+013 0.000 0.0 ch2+h(+m)<=>ch3(+m) 2.500e+016 -0.800 0.0 low/ 3.200e+027 -3.140 1230.0/ troe/ 6.800e-001 7.800e+001 1.995e+003 5.590e+003/ h2/ 2.00/ h2o/ 6.00/ ar/ 0.70/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ he/ 0.70/ ch2+o2<=>hco+oh 1.060e+013 0.000 1500.0 ch2+o2=>co2+h+h 2.640e+012 0.000 1500.0 ch2+o=>co+h+h 5.000e+013 0.000 0.0 ch2+h<=>ch+h2 1.000e+018 -1.560 0.0 dup ch2+oh<=>ch+h2o 1.130e+007 2.000 3000.0 ch+o2<=>hco+o 3.300e+013 0.000 0.0 c+oh<=>co+h 5.000e+013 0.000 0.0 c+o2<=>co+o 5.000e+013 0.000 0.0 ch+h<=>c+h2 1.100e+014 0.000 0.0 ch+o<=>co+h 5.700e+013 0.000 0.0 ch+oh<=>hco+h 3.000e+013 0.000 0.0 ch2+h<=>ch+h2 2.700e+011 0.670 25700.0 dup ch+h2o<=>h+ch2o 1.713e+013 0.000 -755.0 ch+co2<=>hco+co 1.700e+012 0.000 685.0 ch3+ch3(+m)<=>c2h6(+m) 2.277e+015 -0.690 174.9 low/ 8.054e+031 -3.750 981.6/ troe/ 0.000e+000 5.700e+002 1.000e+030 1.000e+030/ h2o/ 5.00/ co/ 2.00/ co2/ 3.00/ c2h5+h(+m)<=>c2h6(+m) 5.210e+017 -0.990 1580.0 low/ 1.990e+041 -7.080 6685.0/ troe/ 8.420e-001 1.250e+002 2.219e+003 6.882e+003/ h2/ 2.00/ h2o/ 6.00/ ar/ 0.70/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ he/ 0.70/ c2h6+h<=>c2h5+h2 1.150e+008 1.900 7530.0 c2h6+o<=>c2h5+oh 3.550e+006 2.400 5830.0 c2h6+oh<=>c2h5+h2o 1.480e+007 1.900 950.0 c2h6+o2<=>c2h5+ho2 6.030e+013 0.000 51870.0 c2h6+ch3<=>c2h5+ch4 5.480e-001 4.000 8280.0 c2h6+ho2<=>c2h5+h2o2 3.460e+001 3.610 16920.0 c2h6+ch3o2<=>c2h5+ch3o2h 1.940e+001 3.640 17100.0 c2h6+ch3o<=>c2h5+ch3oh 2.410e+011 0.000 7090.0 c2h6+ch<=>c2h5+ch2 1.100e+014 0.000 -260.0 ch2(s)+c2h6<=>ch3+c2h5 1.200e+014 0.000 0.0 c2h4+h(+m)<=>c2h5(+m) 9.569e+008 1.463 1355.0 low/ 1.419e+039 -6.642 5769.0/ troe/ -5.690e-001 2.990e+002 -9.147e+003 1.524e+002/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ ar/ 0.70/ h2+ch3o2<=>h+ch3o2h 1.500e+014 0.000 26030.0 h2+c2h5o2<=>h+c2h5o2h 1.500e+014 0.000 26030.0 c2h4+c2h4<=>c2h5+c2h3 4.820e+014 0.000 71530.0 ch3+c2h5<=>ch4+c2h4 1.180e+004 2.450 -2921.0 ch3+ch3<=>h+c2h5 4.740e+012 0.105 10664.3 plog/ 0.0100 4.740e+012 0.105 10664.3/ plog/ 0.1000 2.570e+013 -0.096 11406.1/ plog/ 1.0000 3.100e+014 -0.362 13372.5/ plog/ 10.0000 2.150e+010 0.885 13532.5/ plog/ 100.0000 1.032e+002 3.230 11236.1/ c2h5+h<=>c2h4+h2 2.000e+012 0.000 0.0 c2h5+o<=>ch3cho+h 1.100e+014 0.000 0.0 c2h5+ho2<=>c2h5o+oh 1.100e+013 0.000 0.0 ch3o2+c2h5<=>ch3o+c2h5o 8.000e+012 0.000 -1000.0 c2h5o+o2<=>ch3cho+ho2 4.280e+010 0.000 1097.0 ch3+ch2o<=>c2h5o 3.000e+011 0.000 6336.0 ch3cho+h<=>c2h5o 4.610e+007 1.710 7090.0 c2h5o2+ch2o<=>c2h5o2h+hco 1.990e+012 0.000 11660.0 ch4+c2h5o2<=>ch3+c2h5o2h 1.810e+011 0.000 18480.0 ch3oh+c2h5o2<=>ch2oh+c2h5o2h 1.810e+012 0.000 13710.0 c2h5o2+ho2<=>c2h5o2h+o2 1.750e+010 0.000 -3275.0 c2h6+c2h5o2<=>c2h5+c2h5o2h 8.600e+000 3.760 17200.0 c2h5o2h<=>c2h5o+oh 6.310e+014 0.000 42300.0 c2h5+o2<=>c2h5o2 3.398e+053 -13.900 9279.0 plog/ 0.0400 3.398e+053 -13.900 9279.0/ plog/ 1.0000 9.362e+059 -15.280 14240.0/ plog/ 10.0000 1.262e+060 -14.910 16240.0/ c2h5+o2<=>c2h4o2h 2.103e+034 -9.010 5444.0 plog/ 0.0400 2.103e+034 -9.010 5444.0/ plog/ 1.0000 4.884e+033 -8.310 7710.0/ plog/ 10.0000 1.705e+045 -11.490 14590.0/ c2h5+o2<=>c2h4+ho2 2.094e+009 0.490 -391.4 dup plog/ 0.0400 2.094e+009 0.490 -391.4/ plog/ 1.0000 1.843e+007 1.130 -720.6/ plog/ 10.0000 7.561e+014 -1.010 4749.0/ c2h5+o2<=>c2h4+ho2 6.609e+000 3.510 14160.0 dup c2h5+o2<=>c2h4o1-2+oh 1.303e+003 1.930 -502.7 plog/ 0.0400 1.303e+003 1.930 -502.7/ plog/ 1.0000 2.438e+002 2.180 -62.5/ plog/ 10.0000 4.621e+009 0.150 5409.0/ c2h5+o2<=>ch3cho+oh 4.908e-006 4.760 254.3 plog/ 0.0400 4.908e-006 4.760 254.3/ plog/ 1.0000 6.803e-002 3.570 2643.0/ plog/ 10.0000 8.265e+002 2.410 5285.0/ c2h4o2h<=>c2h5o2 2.653e-016 6.960 2396.0 plog/ 0.0400 2.653e-016 6.960 2396.0/ plog/ 1.0000 1.064e+041 -10.100 26030.0/ plog/ 10.0000 1.203e+036 -8.130 27020.0/ c2h5o2<=>ch3cho+oh 1.237e+035 -9.420 36360.0 plog/ 0.0400 1.237e+035 -9.420 36360.0/ plog/ 1.0000 1.687e+036 -9.220 38700.0/ plog/ 10.0000 2.520e+041 -10.200 43710.0/ c2h5o2<=>c2h4+ho2 1.782e+032 -7.100 32840.0 plog/ 0.0400 1.782e+032 -7.100 32840.0/ plog/ 1.0000 2.701e+037 -8.470 35840.0/ plog/ 10.0000 1.980e+038 -8.460 37900.0/ c2h5o2<=>c2h4o1-2+oh 5.778e+045 -11.900 4112.0 plog/ 0.0400 5.778e+045 -11.900 4112.0/ plog/ 1.0000 1.916e+043 -10.750 42400.0/ plog/ 10.0000 3.965e+043 -10.460 45580.0/ c2h4o2h<=>c2h4o1-2+oh 8.959e+038 -9.400 20660.0 plog/ 0.0400 8.959e+038 -9.400 20660.0/ plog/ 1.0000 1.224e+037 -8.320 21460.0/ plog/ 10.0000 8.848e+030 -6.080 20660.0/ c2h4o2h<=>c2h4+ho2 3.918e+040 -10.200 22250.0 plog/ 0.0400 3.918e+040 -10.200 22250.0/ plog/ 1.0000 6.825e+040 -9.610 23840.0/ plog/ 10.0000 3.980e+034 -7.250 23250.0/ c2h4o2h<=>ch3cho+oh 5.819e+026 -7.970 20860.0 plog/ 0.0400 5.819e+026 -7.970 20860.0/ plog/ 1.0000 5.520e+034 -9.880 26230.0/ plog/ 10.0000 1.188e+034 -9.020 29210.0/ c2h4o1-2<=>ch3+hco 3.630e+013 0.000 57200.0 c2h4o1-2<=>ch3cho 7.407e+012 0.000 53800.0 c2h4o1-2+oh<=>c2h3o1-2+h2o 1.780e+013 0.000 3610.0 c2h4o1-2+h<=>c2h3o1-2+h2 8.000e+013 0.000 9680.0 c2h4o1-2+ho2<=>c2h3o1-2+h2o2 1.130e+013 0.000 30430.0 c2h4o1-2+ch3o2<=>c2h3o1-2+ch3o2h 1.130e+013 0.000 30430.0 c2h4o1-2+c2h5o2<=>c2h3o1-2+c2h5o2h 1.130e+013 0.000 30430.0 c2h4o1-2+ch3<=>c2h3o1-2+ch4 1.070e+012 0.000 11830.0 c2h4o1-2+ch3o<=>c2h3o1-2+ch3oh 1.200e+011 0.000 6750.0 c2h3o1-2<=>ch3co 8.500e+014 0.000 14000.0 c2h3o1-2<=>ch2cho 1.000e+014 0.000 14000.0 ch3cho(+m)<=>ch3+hco(+m) 2.450e+022 -1.740 86355.0 low/ 1.030e+059 -11.300 95912.5/ troe/ 2.490e-003 7.181e+002 6.089e+000 3.780e+003/ ch3cho(+m)<=>ch4+co(+m) 2.720e+021 -1.740 86355.0 low/ 1.144e+058 -11.300 95912.5/ troe/ 2.490e-003 7.181e+002 6.089e+000 3.780e+003/ ch3cho+h<=>ch3co+h2 1.310e+005 2.580 1220.0 ch3cho+h<=>ch2cho+h2 2.720e+003 3.100 5210.0 ch3cho+o<=>ch3co+oh 5.940e+012 0.000 1868.0 ch3cho+oh<=>ch3co+h2o 3.370e+012 0.000 -619.0 ch3cho+o2<=>ch3co+ho2 3.010e+013 0.000 39150.0 ch3cho+ch3<=>ch3co+ch4 7.080e-004 4.580 1966.0 ch3cho+ho2<=>ch3co+h2o2 3.010e+012 0.000 11920.0 ch3o2+ch3cho<=>ch3o2h+ch3co 3.010e+012 0.000 11920.0 ch3cho+ch3co3<=>ch3co+ch3co3h 3.010e+012 0.000 11920.0 ch3cho+oh<=>ch3+hocho 3.000e+015 -1.076 0.0 ch3cho+oh<=>ch2cho+h2o 1.720e+005 2.400 815.0 ch3co(+m)<=>ch3+co(+m) 1.070e+012 0.630 16900.0 low/ 5.650e+018 -0.970 14600.0/ troe/ 6.290e-001 8.730e+009 5.520e+000 7.600e+007/ ch3co+h<=>ch2co+h2 2.000e+013 0.000 0.0 ch3co+o<=>ch2co+oh 2.000e+013 0.000 0.0 ch3co+ch3<=>ch2co+ch4 5.000e+013 0.000 0.0 ch3co+o2<=>ch3co3 1.200e+011 0.000 -1100.0 ch3co3+ho2<=>ch3co3h+o2 1.750e+010 0.000 -3275.0 h2o2+ch3co3<=>ho2+ch3co3h 2.410e+012 0.000 9936.0 ch4+ch3co3<=>ch3+ch3co3h 1.810e+011 0.000 18480.0 ch2o+ch3co3<=>hco+ch3co3h 1.990e+012 0.000 11660.0 c2h6+ch3co3<=>c2h5+ch3co3h 1.700e+013 0.000 20460.0 ch3co3h<=>ch3co2+oh 5.010e+014 0.000 40150.0 ch3co2+m<=>ch3+co2+m 4.400e+015 0.000 10500.0 ch2cho(+m)<=>ch2co+h(+m) 1.430e+015 -0.150 45600.0 low/ 6.000e+029 -3.800 43423.9/ troe/ 9.850e-001 3.930e+002 9.800e+009 5.000e+009/ ch2cho(+m)<=>ch3+co(+m) 2.930e+012 0.290 40300.0 low/ 9.520e+033 -5.070 41300.0/ troe/ 7.130e-017 1.150e+003 4.990e+009 1.790e+009/ ch2cho+o2<=>o2ch2cho 1.580e+077 -21.900 19350.0 plog/ 0.0100 1.580e+077 -21.900 19350.0/ plog/ 0.1000 3.880e+069 -18.840 19240.0/ plog/ 1.0000 7.800e+059 -15.400 17650.0/ plog/ 10.0000 3.050e+050 -12.200 15630.0/ ch2cho+o2<=>ch2co+ho2 1.880e+005 2.370 23730.0 plog/ 0.0100 1.880e+005 2.370 23730.0/ plog/ 0.1000 1.880e+005 2.370 27370.0/ plog/ 1.0000 2.510e+005 2.330 23800.0/ plog/ 10.0000 7.050e+007 1.630 25290.0/ ch2cho+o2=>ch2o+co+oh 2.680e+017 -1.840 6530.0 plog/ 0.0100 2.680e+017 -1.840 6530.0/ plog/ 0.1000 1.520e+020 -2.580 8980.0/ plog/ 1.0000 1.650e+019 -2.220 10340.0/ plog/ 10.0000 8.953e+013 -0.600 10120.0/ ch2cho+o2<=>ho2ch2co 3.640e+065 -21.870 19020.0 plog/ 0.0100 3.640e+065 -21.870 19020.0/ plog/ 0.1000 3.640e+058 -19.000 19090.0/ plog/ 1.0000 6.650e+048 -15.550 17460.0/ plog/ 10.0000 4.800e+038 -12.140 14960.0/ o2ch2cho<=>ho2ch2co 8.270e+030 -6.650 24500.0 plog/ 0.0100 8.270e+030 -6.650 24500.0/ plog/ 0.1000 1.730e+026 -4.990 23760.0/ plog/ 1.0000 9.030e+019 -2.920 22170.0/ plog/ 10.0000 1.430e+016 -1.670 21210.0/ o2ch2cho<=>ch2co+ho2 2.050e+040 -13.310 52150.0 plog/ 0.0100 2.050e+040 -13.310 52150.0/ plog/ 0.1000 5.720e+045 -14.000 52200.0/ plog/ 1.0000 4.160e+055 -15.760 55080.0/ plog/ 10.0000 1.120e+061 -16.040 60010.0/ ho2ch2co=>co+ch2o+oh 2.360e+017 -2.950 8100.0 plog/ 0.0100 2.360e+017 -2.950 8100.0/ plog/ 0.1000 2.380e+018 -2.950 8100.0/ plog/ 1.0000 2.510e+019 -2.950 8110.0/ plog/ 10.0000 4.160e+020 -3.020 8240.0/ ho2ch2co<=>ch2co+ho2 1.120e+007 -3.760 21680.0 plog/ 0.0100 1.120e+007 -3.760 21680.0/ plog/ 0.1000 1.100e+008 -3.760 21680.0/ plog/ 1.0000 9.200e+008 -3.730 21630.0/ plog/ 10.0000 2.090e+009 -3.550 21220.0/ ch2+co(+m)<=>ch2co(+m) 8.100e+011 0.000 0.0 low/ 2.690e+033 -5.110 7095.0/ troe/ 5.907e-001 2.750e+002 1.226e+003 5.185e+003/ h2/ 2.00/ h2o/ 6.00/ ar/ 0.70/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ he/ 0.70/ ch3co(+m)<=>ch2co+h(+m) 9.413e+007 1.917 44987.2 low/ 1.516e+051 -10.270 55390.0/ troe/ 6.009e-001 8.103e+009 6.677e+002 5.000e+009/ ch2co+h<=>hcco+h2 1.401e+015 -0.171 8783.2 ch2co+h<=>ch3+co 7.704e+013 -0.171 4183.2 ch2co+o<=>ch2+co2 1.750e+012 0.000 1350.0 ch2co+o<=>hcco+oh 1.000e+013 0.000 8000.0 ch2co+oh<=>hcco+h2o 1.000e+013 0.000 2000.0 ch2co+oh<=>ch2oh+co 2.000e+012 0.000 -1010.0 ch2co+ch3<=>c2h5+co 4.769e+004 2.312 9468.0 ch2(s)+ch2co<=>c2h4+co 1.600e+014 0.000 0.0 hcco+oh=>h2+co+co 1.000e+014 0.000 0.0 hcco+o=>h+co+co 8.000e+013 0.000 0.0 hcco+h<=>ch2(s)+co 1.000e+014 0.000 0.0 hcco+o2=>oh+co+co 1.910e+011 -0.020 1020.0 hcco+o2=>co2+co+h 4.780e+012 -0.142 1150.0 ch+co+m<=>hcco+m 7.570e+022 -1.900 0.0 ch+ch2o<=>h+ch2co 9.460e+013 0.000 -515.0 ch+hcco<=>co+c2h2 5.000e+013 0.000 0.0 c2h3+h(+m)<=>c2h4(+m) 6.080e+012 0.270 280.0 low/ 1.400e+030 -3.860 3320.0/ troe/ 7.820e-001 2.075e+002 2.663e+003 6.095e+003/ h2/ 2.00/ h2o/ 6.00/ ar/ 0.70/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ he/ 0.70/ c2h4(+m)<=>h2+h2cc(+m) 8.000e+012 0.440 88770.0 low/ 7.000e+050 -9.310 99860.0/ troe/ 7.345e-001 1.800e+002 1.035e+003 5.417e+003/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ ar/ 0.70/ c2h4+h<=>c2h3+h2 5.070e+007 1.930 12950.0 c2h4+o<=>ch3+hco 7.453e+006 1.880 183.0 c2h4+o<=>ch2cho+h 6.098e+006 1.880 183.0 c2h4+oh<=>c2h3+h2o 2.230e+004 2.745 2215.5 c2h4+oh<=>ch3+ch2o 5.350e+000 2.920 -1732.7 plog/ 0.0100 5.350e+000 2.920 -1732.7/ plog/ 0.0250 3.190e+001 2.710 -1172.3/ plog/ 0.1000 5.550e+002 2.360 -180.8/ plog/ 1.0000 1.780e+005 1.680 2060.5/ plog/ 10.0000 2.370e+009 0.560 6006.7/ plog/ 100.0000 2.760e+013 -0.500 11455.1/ c2h4+oh<=>ch3cho+h 2.370e-007 5.300 -2050.6 plog/ 0.0100 2.370e-007 5.300 -2050.6/ plog/ 0.0250 8.730e-005 4.570 -618.0/ plog/ 0.1000 4.030e-001 3.540 1881.7/ plog/ 1.0000 2.380e-002 3.910 1722.7/ plog/ 10.0000 8.250e+008 1.010 10507.3/ plog/ 100.0000 6.800e+009 0.810 13867.3/ c2h4+oh<=>c2h3oh+h 1.040e+004 2.600 4121.0 plog/ 0.0100 1.040e+004 2.600 4121.0/ plog/ 0.0250 1.070e+004 2.600 4129.0/ plog/ 0.1000 1.520e+004 2.560 4238.3/ plog/ 1.0000 3.190e+005 2.190 5255.6/ plog/ 10.0000 1.940e+008 1.430 7828.8/ plog/ 100.0000 8.550e+010 0.750 11490.8/ c2h4+oh<=>pc2h4oh 1.740e+043 -10.461 7698.7 plog/ 0.0100 1.740e+043 -10.461 7698.7/ plog/ 0.0250 3.250e+037 -8.629 5214.7/ plog/ 0.1000 1.840e+035 -7.750 4908.9/ plog/ 1.0000 2.560e+036 -7.752 6946.1/ plog/ 10.0000 3.700e+033 -6.573 7605.9/ plog/ 100.0000 1.120e+026 -4.101 5757.0/ c2h3oh+o2<=>ch2cho+ho2 5.310e+011 0.210 39830.0 c2h3oh+o<=>ch2cho+oh 1.875e+006 1.900 -860.0 c2h3oh+oh<=>ch2cho+h2o 3.330e+009 1.100 540.5 c2h3oh+ch3<=>ch2cho+ch4 2.030e-008 5.900 1052.0 c2h3oh+ch3o2<=>ch2cho+ch3o2h 3.400e+003 2.500 8922.0 c2h3oh+h<=>ch2cho+h2 1.480e+003 3.077 7220.0 c2h3oh+h<=>c2h2oh+h2 2.470e+007 2.030 15200.0 c2h3oh+h<=>pc2h4oh 3.010e+008 1.577 3670.0 c2h3oh+ho2<=>ch3cho+ho2 1.490e+005 1.670 6810.0 c2h3oh<=>ch3cho 7.420e+046 -10.560 67420.0 plog/ 0.1000 7.420e+046 -10.560 67420.0/ plog/ 1.0000 4.420e+042 -9.090 67069.2/ plog/ 100.0000 2.900e+027 -4.350 61612.9/ c2h4+ch3<=>c2h3+ch4 6.620e+000 3.700 9500.0 c2h4+o2<=>c2h3+ho2 4.220e+013 0.000 57623.1 c2h4+ch3o<=>c2h3+ch3oh 1.200e+011 0.000 6750.0 c2h4+ch3o2<=>c2h3+ch3o2h 8.590e+000 3.754 27132.0 c2h4+c2h5o2<=>c2h3+c2h5o2h 8.590e+000 3.754 27132.0 c2h4+ch3co3<=>c2h3+ch3co3h 1.130e+013 0.000 30430.0 c2h4+ch3o2<=>c2h4o1-2+ch3o 2.820e+012 0.000 17110.0 c2h4+c2h5o2<=>c2h4o1-2+c2h5o 2.820e+012 0.000 17110.0 c2h4+ho2<=>c2h4o1-2+oh 5.575e+011 0.000 17190.0 ch+ch4<=>c2h4+h 6.000e+013 0.000 0.0 ch2(s)+ch3<=>c2h4+h 2.000e+013 0.000 0.0 c2h2+h(+m)<=>c2h3(+m) 1.710e+010 1.266 2709.0 low/ 6.346e+031 -4.664 3780.0/ troe/ 7.880e-001 -1.020e+004 1.000e-030/ h2/ 2.00/ h2o/ 6.00/ ar/ 0.70/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ he/ 0.70/ c2h3+o2<=>ch2o+hco 1.700e+029 -5.312 6503.1 c2h3+o2<=>ch2cho+o 7.000e+014 -0.611 5262.4 c2h3+o2=>h+co+ch2o 5.190e+015 -1.260 3312.6 ch3+c2h3<=>ch4+c2h2 3.920e+011 0.000 0.0 c2h3+h<=>c2h2+h2 9.000e+013 0.000 0.0 c2h3+h<=>h2cc+h2 6.000e+013 0.000 0.0 c2h3+oh<=>c2h2+h2o 3.011e+013 0.000 0.0 c2h3+c2h3<=>c2h2+c2h4 9.600e+011 0.000 0.0 c2h+h(+m)<=>c2h2(+m) 1.000e+017 0.000 0.0 low/ 3.750e+033 -4.800 1900.0/ troe/ 6.460e-001 1.320e+002 1.315e+003 5.566e+003/ h2/ 2.00/ h2o/ 6.00/ ar/ 0.70/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ he/ 0.70/ c2h+o<=>ch+co 5.000e+013 0.000 0.0 c2h+oh<=>h+hcco 2.000e+013 0.000 0.0 c2h+o2<=>hco+co 5.000e+013 0.000 1500.0 c2h+h2<=>h+c2h2 4.900e+005 2.500 560.0 c2h2(+m)<=>h2cc(+m) 8.000e+014 -0.520 50750.0 low/ 2.450e+015 -0.640 49700.0/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ c2h2/ 2.50/ c2h4/ 2.50/ c2h2+o<=>ch2+co 7.395e+008 1.280 2472.0 c2h2+o<=>hcco+h 2.958e+009 1.280 2472.0 c2h2+oh<=>c2h+h2o 2.632e+006 2.140 17060.0 c2h2+oh<=>hccoh+h 2.800e+005 2.280 12420.0 plog/ 0.0100 2.800e+005 2.280 12420.0/ plog/ 0.0250 7.467e+005 2.160 12550.0/ plog/ 0.1000 1.776e+006 2.040 12670.0/ plog/ 1.0000 2.415e+006 2.000 12710.0/ plog/ 10.0000 3.210e+006 1.970 12810.0/ plog/ 100.0000 7.347e+006 1.890 13600.0/ c2h2+oh<=>ch2co+h 1.578e+003 2.560 -844.5 plog/ 0.0100 1.578e+003 2.560 -844.5/ plog/ 0.0250 1.518e+004 2.280 -292.1/ plog/ 0.1000 3.017e+005 1.920 598.1/ plog/ 1.0000 7.528e+006 1.550 2106.0/ plog/ 10.0000 5.101e+006 1.650 3400.0/ plog/ 100.0000 1.457e+004 2.450 4477.0/ c2h2+oh<=>ch3+co 4.757e+005 1.680 -329.8 plog/ 0.0100 4.757e+005 1.680 -329.8/ plog/ 0.0250 4.372e+006 1.400 226.5/ plog/ 0.1000 7.648e+007 1.050 1115.0/ plog/ 1.0000 1.277e+009 0.730 2579.0/ plog/ 10.0000 4.312e+008 0.920 3736.0/ plog/ 100.0000 8.250e+005 1.770 4697.0/ c2h2+oh<=>c2h2oh 3.913e+032 -7.126 5824.0 plog/ 0.0100 3.913e+032 -7.126 5824.0/ plog/ 0.0250 1.067e+032 -6.847 5508.0/ plog/ 0.1000 1.646e+032 -6.717 5822.0/ plog/ 1.0000 1.387e+031 -6.087 6348.0/ plog/ 10.0000 2.892e+029 -5.288 7055.0/ plog/ 100.0000 1.367e+025 -3.754 6543.0/ c2h2+hco<=>c2h3+co 1.000e+007 2.000 6000.0 c2h2+ch2<=>c3h3+h 1.200e+013 0.000 6620.0 c2h2+ch2(s)<=>c3h3+h 2.000e+013 0.000 0.0 c2h2+hcco<=>c3h3+co 1.000e+011 0.000 3000.0 h2cc+h<=>c2h2+h 1.000e+014 0.000 0.0 h2cc+oh<=>ch2co+h 2.000e+013 0.000 0.0 h2cc+o2<=>hco+hco 1.000e+013 0.000 0.0 h+hccoh<=>h+ch2co 1.000e+013 0.000 0.0 c2h5oh<=>c2h4+h2o 3.410e+059 -14.200 83672.6 plog/ 0.0010 3.410e+059 -14.200 83672.6/ plog/ 0.0100 2.620e+057 -13.300 85262.2/ plog/ 0.1000 1.650e+052 -11.500 84745.6/ plog/ 1.0000 5.230e+043 -8.900 81506.7/ plog/ 10.0000 4.590e+032 -5.600 76062.4/ plog/ 100.0000 3.840e+020 -2.060 69465.5/ c2h5oh<=>ch3+ch2oh 1.200e+054 -12.900 100005.7 plog/ 0.0010 1.200e+054 -12.900 100005.7/ plog/ 0.0100 5.180e+059 -14.000 99906.4/ plog/ 0.1000 1.620e+066 -15.300 105390.5/ plog/ 1.0000 5.550e+064 -14.500 106183.0/ plog/ 10.0000 1.550e+058 -12.300 105768.0/ plog/ 100.0000 1.780e+047 -8.960 101058.8/ c2h5oh<=>c2h5+oh 8.100e+046 -11.300 111053.4 plog/ 0.0010 8.100e+046 -11.300 111053.4/ plog/ 0.0100 1.860e+056 -13.500 107238.4/ plog/ 0.1000 4.650e+063 -15.000 109622.8/ plog/ 1.0000 4.460e+065 -14.900 112345.0/ plog/ 10.0000 2.790e+061 -13.400 113080.2/ plog/ 100.0000 6.170e+051 -10.300 109940.7/ c2h5oh+o2<=>pc2h4oh+ho2 2.000e+013 0.000 52800.0 c2h5oh+o2<=>sc2h4oh+ho2 1.500e+013 0.000 50150.0 c2h5oh+h<=>sc2h4oh+h2 8.790e+004 2.680 2910.0 c2h5oh+h<=>pc2h4oh+h2 5.310e+004 2.810 7490.0 c2h5oh+h<=>c2h5o+h2 9.450e+002 3.140 8701.1 c2h5oh+oh<=>sc2h4oh+h2o 7.170e+004 2.540 -1534.0 c2h5oh+oh<=>pc2h4oh+h2o 5.700e+000 3.380 -2394.3 c2h5oh+oh<=>c2h5o+h2o 5.810e-003 4.280 -3560.0 c2h5oh+ho2<=>sc2h4oh+h2o2 3.500e-005 5.260 7475.1 c2h5oh+ho2<=>pc2h4oh+h2o2 3.986e-002 4.300 15333.0 c2h5oh+ho2<=>c2h5o+h2o2 6.470e-007 5.300 10533.1 c2h5oh+ch3o2<=>pc2h4oh+ch3o2h 1.230e+004 2.550 15750.0 c2h5oh+ch3o2<=>sc2h4oh+ch3o2h 8.200e+003 2.550 10750.0 c2h5oh+ch3o2<=>c2h5o+ch3o2h 2.500e+012 0.000 24000.0 c2h5oh+o<=>pc2h4oh+oh 9.690e+002 3.230 4658.0 c2h5oh+o<=>sc2h4oh+oh 1.450e+005 2.470 876.0 c2h5oh+o<=>c2h5o+oh 1.460e-003 4.730 1727.0 c2h5oh+ch3<=>pc2h4oh+ch4 3.300e+002 3.300 12290.0 c2h5oh+ch3<=>sc2h4oh+ch4 1.993e+001 3.370 7634.0 c2h5oh+ch3<=>c2h5o+ch4 2.035e+000 3.570 7721.0 c2h5oh+c2h5<=>pc2h4oh+c2h6 5.000e+010 0.000 13400.0 c2h5oh+c2h5<=>sc2h4oh+c2h6 5.000e+010 0.000 10400.0 sc2h4oh<=>ch3cho+h 5.690e+052 -13.380 45049.0 plog/ 0.0010 5.690e+052 -13.380 45049.0/ plog/ 0.0100 3.290e+056 -14.120 48129.0/ plog/ 0.1000 8.580e+057 -14.160 50743.0/ plog/ 1.0000 5.360e+055 -13.150 51886.0/ plog/ 10.0000 1.660e+048 -10.640 50297.0/ plog/ 20.0000 8.260e+044 -9.590 49218.0/ plog/ 50.0000 1.010e+040 -8.060 47439.0/ plog/ 100.0000 1.100e+036 -6.840 45899.0/ sc2h4oh<=>c2h3oh+h 5.400e+046 -11.630 44323.0 plog/ 0.0010 5.400e+046 -11.630 44323.0/ plog/ 0.0100 1.210e+051 -12.550 47240.0/ plog/ 0.1000 2.870e+054 -13.150 50702.0/ plog/ 1.0000 3.790e+053 -12.510 52560.0/ plog/ 10.0000 6.330e+046 -10.200 51441.0/ plog/ 20.0000 3.870e+043 -9.170 50440.0/ plog/ 50.0000 5.080e+038 -7.650 48713.0/ plog/ 100.0000 5.120e+034 -6.410 47182.0/ sc2h4oh<=>c2h5o 5.480e+045 -11.630 44328.0 plog/ 0.0010 5.480e+045 -11.630 44328.0/ plog/ 0.0100 2.540e+049 -12.370 46445.0/ plog/ 0.1000 1.650e+054 -13.400 50330.0/ plog/ 1.0000 1.810e+055 -13.310 53132.0/ plog/ 10.0000 4.580e+049 -11.320 52714.0/ plog/ 20.0000 4.110e+046 -10.330 51834.0/ plog/ 50.0000 6.680e+041 -8.830 50202.0/ plog/ 100.0000 6.540e+037 -7.580 48697.0/ sc2h4oh<=>pc2h4oh 2.650e+036 -8.860 51019.0 plog/ 0.0010 2.650e+036 -8.860 51019.0/ plog/ 0.0100 3.560e+037 -8.890 51114.0/ plog/ 0.1000 4.140e+039 -9.190 51912.0/ plog/ 1.0000 5.820e+044 -10.340 55296.0/ plog/ 10.0000 4.260e+048 -11.060 59458.0/ plog/ 20.0000 8.840e+047 -10.740 59901.0/ plog/ 50.0000 2.230e+045 -9.840 59604.0/ plog/ 100.0000 1.700e+042 -8.830 58737.0/ o2c2h4oh<=>pc2h4oh+o2 3.900e+016 -1.000 30000.0 o2c2h4oh=>oh+ch2o+ch2o 3.125e+009 0.000 18900.0 sc2h4oh+o2<=>ch3cho+ho2 5.260e+017 -1.638 869.0 plog/ 0.0100 5.260e+017 -1.637 838.0/ plog/ 0.1000 5.260e+017 -1.637 838.0/ plog/ 1.0000 5.280e+017 -1.638 839.0/ plog/ 10.0000 1.540e+018 -1.771 1120.0/ plog/ 100.0000 3.780e+020 -2.429 3090.0/ sc2h4oh+o2<=>c2h3oh+ho2 5.512e+003 2.495 -414.0 plog/ 0.0100 5.120e+002 2.496 -414.0/ plog/ 0.1000 5.330e+002 2.490 -402.0/ plog/ 1.0000 7.620e+002 2.446 -296.0/ plog/ 10.0000 8.920e+003 2.146 470.0/ plog/ 100.0000 4.380e+005 1.699 2330.0/ ch3coch3<=>ch3co+ch3 2.050e+058 -12.796 100030.1 plog/ 0.0100 2.050e+058 -12.796 100030.1/ plog/ 0.1000 3.300e+051 -10.574 98221.2/ plog/ 1.0000 1.310e+042 -7.657 94660.6/ plog/ 10.0000 2.160e+033 -4.989 90916.5/ plog/ 100.0000 9.400e+028 -3.669 89022.8/ ch3coch3+oh<=>ch3coch2+h2o 1.250e+005 2.483 445.0 ch3coch3+h<=>ch3coch2+h2 9.800e+005 2.430 5160.0 ch3coch3+o<=>ch3coch2+oh 5.130e+011 0.211 4890.0 ch3coch3+ch3<=>ch3coch2+ch4 3.960e+011 0.000 9784.0 ch3coch3+ch3o<=>ch3coch2+ch3oh 4.340e+011 0.000 6460.0 ch3coch3+o2<=>ch3coch2+ho2 6.030e+013 0.000 48500.0 ch3coch3+ho2<=>ch3coch2+h2o2 1.700e+013 0.000 20460.0 ch3coch3+ch3o2<=>ch3coch2+ch3o2h 1.700e+013 0.000 20460.0 ch2co+ch3<=>ch3coch2 1.760e+004 2.480 6130.0 ch3coch2+o2<=>ch3coch2o2 1.200e+011 0.000 -1100.0 ch3coch3+ch3coch2o2<=>ch3coch2+c3ket21 1.000e+011 0.000 5000.0 ch2o+ch3coch2o2<=>hco+c3ket21 1.288e+011 0.000 9000.0 ho2+ch3coch2o2<=>c3ket21+o2 1.000e+012 0.000 0.0 c2h3+hco<=>c2h3cho 1.810e+013 0.000 0.0 c2h3cho+h<=>c2h3co+h2 1.340e+013 0.000 3300.0 c2h3cho+o<=>c2h3co+oh 5.940e+012 0.000 1868.0 c2h3cho+oh<=>c2h3co+h2o 9.240e+006 1.500 -962.0 c2h3cho+o2<=>c2h3co+ho2 1.005e+013 0.000 40700.0 c2h3cho+ho2<=>c2h3co+h2o2 3.010e+012 0.000 11920.0 c2h3cho+ch3<=>c2h3co+ch4 2.608e+006 1.780 5911.0 c2h3cho+c2h3<=>c2h3co+c2h4 1.740e+012 0.000 8440.0 c2h3cho+ch3o<=>c2h3co+ch3oh 1.000e+012 0.000 3300.0 c2h3cho+ch3o2<=>c2h3co+ch3o2h 3.010e+012 0.000 11920.0 c2h3+co<=>c2h3co 1.510e+011 0.000 4810.0 c2h5+hco<=>c2h5cho 1.810e+013 0.000 0.0 c2h5cho+h<=>c2h5co+h2 4.000e+013 0.000 4200.0 c2h5cho+o<=>c2h5co+oh 5.000e+012 0.000 1790.0 c2h5cho+oh<=>c2h5co+h2o 2.690e+010 0.760 -340.0 c2h5cho+ch3<=>c2h5co+ch4 2.608e+006 1.780 5911.0 c2h5cho+ho2<=>c2h5co+h2o2 2.800e+012 0.000 13600.0 c2h5cho+ch3o<=>c2h5co+ch3oh 1.000e+012 0.000 3300.0 c2h5cho+ch3o2<=>c2h5co+ch3o2h 3.010e+012 0.000 11920.0 c2h5cho+c2h5<=>c2h5co+c2h6 1.000e+012 0.000 8000.0 c2h5cho+c2h5o<=>c2h5co+c2h5oh 6.026e+011 0.000 3300.0 c2h5cho+c2h5o2<=>c2h5co+c2h5o2h 3.010e+012 0.000 11920.0 c2h5cho+o2<=>c2h5co+ho2 1.005e+013 0.000 40700.0 c2h5cho+ch3co3<=>c2h5co+ch3co3h 3.010e+012 0.000 11920.0 c2h5cho+c2h3<=>c2h5co+c2h4 1.700e+012 0.000 8440.0 c2h5+co<=>c2h5co 1.510e+011 0.000 4810.0 ch3och3(+m)<=>ch3+ch3o(+m) 4.380e+021 -1.570 83890.0 low/ 7.520e+015 0.000 42790.0/ troe/ 4.540e-001 1.000e-030 2.510e+003/ ch3och3+oh<=>ch3och2+h2o 6.324e+006 2.000 -651.7 ch3och3+h<=>ch3och2+h2 7.721e+006 2.090 3384.0 ch3och3+o<=>ch3och2+oh 7.750e+008 1.360 2250.0 ch3och3+ho2<=>ch3och2+h2o2 8.670e+002 3.010 12090.0 ch3och3+ch3o2<=>ch3och2+ch3o2h 3.120e+002 3.120 13190.0 ch3och3+ch3<=>ch3och2+ch4 1.445e-006 5.730 5700.0 ch3och3+o2<=>ch3och2+ho2 4.100e+013 0.000 44910.0 ch3och3+ch3o<=>ch3och2+ch3oh 6.020e+011 0.000 4074.0 ch3och3+ch3och2o2<=>ch3och2+ch3och2o2h 5.000e+012 0.000 17690.0 ch3och3+o2cho<=>ch3och2+ho2cho 4.425e+004 2.600 13910.0 ch3och3+ocho<=>ch3och2+hocho 1.000e+013 0.000 17690.0 ch3och2<=>ch2o+ch3 1.600e+013 0.000 25500.0 ch3och2+ch3o<=>ch3och3+ch2o 2.410e+013 0.000 0.0 ch3och2+ch2o<=>ch3och3+hco 5.490e+003 2.800 5862.0 ch3och2+ch3cho<=>ch3och3+ch3co 1.260e+012 0.000 8499.0 ch3och2+o2<=>ch3och2o2 2.000e+012 0.000 0.0 ch3och2o2+ch2o<=>ch3och2o2h+hco 1.000e+012 0.000 11660.0 ch3och2o2+ch3cho<=>ch3och2o2h+ch3co 2.800e+012 0.000 13600.0 ch3och2o2+ch3och2o2=>o2+ch3och2o+ch3och2o 1.547e+023 -4.500 0.0 ch3och2o+oh<=>ch3och2o2h 2.000e+013 0.000 0.0 ch3o+ch2o<=>ch3och2o 1.000e+011 0.000 7960.0 ch3och2o+o2<=>ch3ocho+ho2 5.000e+010 0.000 500.0 ch3ocho+h<=>ch3och2o 1.000e+013 0.000 7838.0 ch3och2o2<=>ch2och2o2h 6.000e+010 0.000 21580.0 ch2och2o2h=>oh+ch2o+ch2o 1.500e+013 0.000 20760.0 ch2och2o2h+o2<=>o2ch2och2o2h 7.000e+011 0.000 0.0 o2ch2och2o2h<=>ho2ch2ocho+oh 4.000e+010 0.000 18580.0 ho2ch2ocho<=>och2ocho+oh 2.000e+016 0.000 40500.0 ch2o+ocho<=>och2ocho 1.250e+011 0.000 11900.0 och2ocho<=>hoch2oco 1.000e+011 0.000 14000.0 hoch2o+co<=>hoch2oco 1.500e+011 0.000 4800.0 ch2oh+co2<=>hoch2oco 1.500e+011 0.000 35720.0 ch2ocho+h<=>ch3ocho 1.000e+014 0.000 0.0 ch3oco+h<=>ch3ocho 1.000e+014 0.000 0.0 ch3ocho(+m)<=>ch3oh+co(+m) 1.000e+014 0.000 62500.0 low/ 6.143e+060 -12.070 75400.0/ troe/ 7.800e-001 8.280e+009 4.389e+002 6.700e+008/ ch3o+hco<=>ch3ocho 3.000e+013 0.000 0.0 ch3+ocho<=>ch3ocho 1.000e+013 0.000 0.0 ch3ocho+o2<=>ch3oco+ho2 1.000e+013 0.000 49700.0 ch3ocho+o2<=>ch2ocho+ho2 2.050e+013 0.000 52000.0 ch3ocho+oh<=>ch3oco+h2o 1.580e+007 1.800 934.0 ch3ocho+oh<=>ch2ocho+h2o 5.270e+009 0.970 1586.0 ch3ocho+ho2<=>ch3oco+h2o2 4.820e+003 2.600 13910.0 ch3ocho+ho2<=>ch2ocho+h2o2 2.380e+004 2.550 16490.0 ch3ocho+o<=>ch3oco+oh 2.755e+005 2.450 2830.0 ch3ocho+o<=>ch2ocho+oh 9.800e+005 2.430 4750.0 ch3ocho+h<=>ch3oco+h2 6.500e+005 2.400 4471.0 ch3ocho+h<=>ch2ocho+h2 6.650e+005 2.540 6756.0 ch3ocho+ch3<=>ch3oco+ch4 7.550e-001 3.460 5481.0 ch3ocho+ch3<=>ch2ocho+ch4 4.520e-001 3.650 7154.0 ch3ocho+ch3o<=>ch3oco+ch3oh 5.480e+011 0.000 5000.0 ch3ocho+ch3o<=>ch2ocho+ch3oh 2.170e+011 0.000 6458.0 ch3ocho+ch3o2<=>ch3oco+ch3o2h 4.820e+003 2.600 13910.0 ch3ocho+ch3o2<=>ch2ocho+ch3o2h 2.380e+004 2.550 16490.0 ch3ocho+hco<=>ch3oco+ch2o 5.400e+006 1.900 17010.0 ch3ocho+hco<=>ch2ocho+ch2o 1.025e+005 2.500 18430.0 ch3oco<=>ch2ocho 1.629e+012 -0.180 40670.0 ch3+co2<=>ch3oco 4.760e+007 1.540 34700.0 ch3o+co<=>ch3oco 1.550e+006 2.020 5730.0 ch2o+hco<=>ch2ocho 1.500e+011 0.000 11900.0 c3h8(+m)<=>ch3+c2h5(+m) 1.290e+037 -5.840 97380.0 low/ 5.640e+074 -15.740 98714.0/ troe/ 3.100e-001 5.000e+001 3.000e+003 9.000e+003/ h2/ 2.00/ h2o/ 6.00/ ar/ 0.70/ co/ 1.50/ co2/ 2.00/ ch4/ 2.00/ c2h6/ 3.00/ he/ 0.70/ nc3h7+h<=>c3h8 1.000e+014 0.000 0.0 ic3h7+h<=>c3h8 1.000e+014 0.000 0.0 c3h8+o2<=>ic3h7+ho2 2.000e+013 0.000 49640.0 c3h8+o2<=>nc3h7+ho2 6.000e+013 0.000 52290.0 h+c3h8<=>h2+ic3h7 1.300e+006 2.400 4471.0 h+c3h8<=>h2+nc3h7 3.490e+005 2.690 6450.0 c3h8+o<=>ic3h7+oh 5.490e+005 2.500 3140.0 c3h8+o<=>nc3h7+oh 3.710e+006 2.400 5505.0 c3h8+oh<=>nc3h7+h2o 1.054e+010 0.970 1586.0 c3h8+oh<=>ic3h7+h2o 4.670e+007 1.610 -35.0 c3h8+ho2<=>ic3h7+h2o2 6.320e+001 3.370 13720.0 c3h8+ho2<=>nc3h7+h2o2 4.080e+001 3.590 17160.0 ch3+c3h8<=>ch4+ic3h7 6.400e+004 2.170 7520.0 ch3+c3h8<=>ch4+nc3h7 9.040e-001 3.650 7154.0 ic3h7+c3h8<=>nc3h7+c3h8 3.000e+010 0.000 12900.0 c2h3+c3h8<=>c2h4+ic3h7 1.000e+011 0.000 10400.0 c2h3+c3h8<=>c2h4+nc3h7 1.000e+011 0.000 10400.0 c2h5+c3h8<=>c2h6+ic3h7 1.000e+011 0.000 10400.0 c2h5+c3h8<=>c2h6+nc3h7 1.000e+011 0.000 10400.0 c3h8+c3h5-a<=>nc3h7+c3h6 7.940e+011 0.000 20500.0 c3h8+c3h5-a<=>ic3h7+c3h6 7.940e+011 0.000 16200.0 c3h8+ch3o<=>nc3h7+ch3oh 3.000e+011 0.000 7000.0 c3h8+ch3o<=>ic3h7+ch3oh 3.000e+011 0.000 7000.0 ch3o2+c3h8<=>ch3o2h+nc3h7 1.386e+000 3.970 18280.0 ch3o2+c3h8<=>ch3o2h+ic3h7 1.019e+001 3.580 14810.0 c2h5o2+c3h8<=>c2h5o2h+nc3h7 1.386e+000 3.970 18280.0 c2h5o2+c3h8<=>c2h5o2h+ic3h7 1.019e+001 3.580 14810.0 nc3h7o2+c3h8<=>nc3h7o2h+nc3h7 1.700e+013 0.000 20460.0 nc3h7o2+c3h8<=>nc3h7o2h+ic3h7 2.000e+012 0.000 17000.0 ic3h7o2+c3h8<=>ic3h7o2h+nc3h7 1.700e+013 0.000 20460.0 ic3h7o2+c3h8<=>ic3h7o2h+ic3h7 2.000e+012 0.000 17000.0 c3h8+ch3co3<=>ic3h7+ch3co3h 2.000e+012 0.000 17000.0 c3h8+ch3co3<=>nc3h7+ch3co3h 1.700e+013 0.000 20460.0 c3h8+o2cho<=>nc3h7+ho2cho 5.520e+004 2.550 16480.0 c3h8+o2cho<=>ic3h7+ho2cho 1.475e+004 2.600 13910.0 h+c3h6<=>ic3h7 4.240e+011 0.510 1230.0 ic3h7+h<=>c2h5+ch3 2.000e+013 0.000 0.0 ic3h7+o2<=>c3h6+ho2 4.500e-019 0.000 5020.0 ic3h7+oh<=>c3h6+h2o 2.410e+013 0.000 0.0 ic3h7+o<=>ch3coch3+h 4.818e+013 0.000 0.0 ic3h7+o<=>ch3cho+ch3 4.818e+013 0.000 0.0 ch3+c2h4<=>nc3h7 1.760e+004 2.480 6130.0 h+c3h6<=>nc3h7 2.500e+011 0.510 2620.0 nc3h7+o2<=>c3h6+ho2 3.000e-019 0.000 3000.0 c2h5cho+nc3h7<=>c2h5co+c3h8 1.700e+012 0.000 8440.0 c2h5cho+ic3h7<=>c2h5co+c3h8 1.700e+012 0.000 8440.0 c2h5cho+c3h5-a<=>c2h5co+c3h6 1.700e+012 0.000 8440.0 c2h3+ch3(+m)<=>c3h6(+m) 2.500e+013 0.000 0.0 low/ 4.270e+058 -11.940 9769.8/ troe/ 1.750e-001 1.341e+003 6.000e+004 1.014e+004/ c3h5-a+h(+m)<=>c3h6(+m) 2.000e+014 0.000 0.0 low/ 1.330e+060 -12.000 5967.8/ troe/ 2.000e-002 1.097e+003 1.097e+003 6.860e+003/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ ar/ 0.70/ c3h6<=>c3h5-s+h 7.710e+069 -16.090 140000.0 c3h6<=>c3h5-t+h 5.620e+071 -16.580 139300.0 c3h6+o<=>c2h5+hco 1.580e+007 1.760 -1216.0 c3h6+o=>ch2co+ch3+h 2.500e+007 1.760 76.0 c3h6+o=>ch3chco+h+h 2.500e+007 1.760 76.0 c3h6+o<=>c3h5-a+oh 5.240e+011 0.700 5884.0 c3h6+o<=>c3h5-s+oh 1.200e+011 0.700 8959.0 c3h6+o<=>c3h5-t+oh 6.030e+010 0.700 7632.0 c3h6+oh<=>c3h5-a+h2o 1.970e+006 2.200 540.0 c3h6+oh<=>c3h5-s+h2o 2.110e+006 2.000 2778.0 c3h6+oh<=>c3h5-t+h2o 1.110e+006 2.000 1451.0 c3h6+ho2<=>c3h5-a+h2o2 2.700e+004 2.500 12340.0 c3h6+ho2<=>c3h5-s+h2o2 1.800e+004 2.500 27620.0 c3h6+ho2<=>c3h5-t+h2o2 9.000e+003 2.500 23590.0 c3h6+h<=>c3h5-a+h2 1.730e+005 2.500 2492.0 c3h6+h<=>c3h5-s+h2 8.040e+005 2.500 12280.0 c3h6+h<=>c3h5-t+h2 4.050e+005 2.500 9794.0 c3h6+h<=>c2h4+ch3 8.800e+016 -1.050 6461.0 plog/ 0.1000 8.800e+016 -1.050 6461.0/ plog/ 1.0000 8.000e+021 -2.390 11180.0/ plog/ 10.0000 3.300e+024 -3.040 15610.0/ c3h6+o2<=>c3h5-a+ho2 4.000e+012 0.000 39900.0 c3h6+o2<=>c3h5-s+ho2 2.000e+012 0.000 62900.0 c3h6+o2<=>c3h5-t+ho2 1.400e+012 0.000 60700.0 c3h6+ch3<=>c3h5-a+ch4 2.210e+000 3.500 5675.0 c3h6+ch3<=>c3h5-s+ch4 1.348e+000 3.500 12850.0 c3h6+ch3<=>c3h5-t+ch4 8.400e-001 3.500 11660.0 c3h6+c2h5<=>c3h5-a+c2h6 1.000e+011 0.000 9800.0 c3h6+ch3co3<=>c3h5-a+ch3co3h 3.240e+011 0.000 14900.0 c3h6+ch3o2<=>c3h5-a+ch3o2h 3.240e+011 0.000 14900.0 c3h6+ho2<=>c3h6o1-2+oh 1.290e+012 0.000 14900.0 c3h6+c2h5o2<=>c3h5-a+c2h5o2h 3.240e+011 0.000 14900.0 c3h6+nc3h7o2<=>c3h5-a+nc3h7o2h 3.240e+011 0.000 14900.0 c3h6+ic3h7o2<=>c3h5-a+ic3h7o2h 3.240e+011 0.000 14900.0 c3h6+oh<=>c3h6oh 9.930e+011 0.000 -960.0 c3h6oh+o2<=>hoc3h6o2 1.200e+011 0.000 -1100.0 hoc3h6o2=>ch3cho+ch2o+oh 1.250e+010 0.000 18900.0 c2h2+ch3<=>c3h5-a 8.200e+053 -13.320 33200.0 plog/ 0.1000 8.200e+053 -13.320 33200.0/ plog/ 1.0000 2.680e+053 -12.820 35730.0/ plog/ 2.0000 3.640e+052 -12.460 36127.0/ plog/ 5.0000 1.040e+051 -11.890 36476.0/ plog/ 10.0000 4.400e+049 -11.400 36700.0/ plog/ 100.0000 3.800e+044 -9.630 37600.0/ c3h4-a+h<=>c3h5-a 9.600e+061 -14.670 26000.0 plog/ 0.1000 9.600e+061 -14.670 26000.0/ plog/ 1.0000 1.520e+059 -13.540 26949.0/ plog/ 2.0000 3.780e+057 -12.980 26785.0/ plog/ 5.0000 7.340e+054 -12.090 26187.0/ plog/ 10.0000 2.400e+052 -11.300 25400.0/ plog/ 100.0000 6.900e+041 -8.060 21300.0/ c3h5-a+ho2<=>c3h5o+oh 7.000e+012 0.000 -1000.0 c3h5-a+ch3o2<=>c3h5o+ch3o 7.000e+012 0.000 -1000.0 c3h5-a+h<=>c3h4-a+h2 1.232e+003 3.035 2582.0 c3h5-a+o<=>c2h3cho+h 6.000e+013 0.000 0.0 c3h5-a+oh=>c2h3cho+h+h 5.300e+037 -6.710 29306.0 plog/ 0.1000 5.300e+037 -6.710 29306.0/ plog/ 1.0000 4.200e+032 -5.160 30126.0/ plog/ 10.0000 1.600e+020 -1.560 26330.0/ c3h5-a+oh<=>c3h4-a+h2o 6.000e+012 0.000 0.0 c3h5-a+ch3<=>c3h4-a+ch4 3.000e+012 -0.320 -131.0 c3h5-a+c2h5<=>c2h6+c3h4-a 4.000e+011 0.000 0.0 c3h5-a+c2h5<=>c2h4+c3h6 4.000e+011 0.000 0.0 c3h5-a+c2h3<=>c2h4+c3h4-a 1.000e+012 0.000 0.0 c3h5-a+c3h5-a<=>c3h4-a+c3h6 8.430e+010 0.000 -262.0 c3h5-a+o2<=>c3h4-a+ho2 4.990e+015 -1.400 22428.0 plog/ 1.0000 4.990e+015 -1.400 22428.0/ plog/ 10.0000 2.180e+021 -2.850 30755.0/ c3h5-a+o2<=>ch3co+ch2o 1.190e+015 -1.010 20128.0 plog/ 1.0000 1.190e+015 -1.010 20128.0/ plog/ 10.0000 7.140e+015 -1.210 21046.0/ c3h5-a+o2<=>c2h3cho+oh 1.820e+013 -0.410 22859.0 plog/ 1.0000 1.820e+013 -0.410 22859.0/ plog/ 10.0000 2.470e+013 -0.450 23017.0/ c3h5-a+hco<=>c3h6+co 6.000e+013 0.000 0.0 c2h3+ch3<=>c3h5-a+h 1.500e+024 -2.830 18618.0 c3h5-a<=>c3h5-t 3.900e+059 -15.420 75400.0 plog/ 0.1000 3.900e+059 -15.420 75400.0/ plog/ 1.0000 7.060e+056 -14.080 75868.0/ plog/ 2.0000 4.800e+055 -13.590 75949.0/ plog/ 5.0000 4.860e+053 -12.810 75883.0/ plog/ 10.0000 6.400e+051 -12.120 75700.0/ plog/ 100.0000 2.800e+043 -9.270 74000.0/ c3h5-a<=>c3h5-s 1.300e+055 -14.530 73800.0 plog/ 0.1000 1.300e+055 -14.530 73800.0/ plog/ 1.0000 5.000e+051 -13.020 73300.0/ plog/ 10.0000 9.700e+048 -11.730 73700.0/ plog/ 100.0000 4.860e+044 -9.840 73400.0/ c2h2+ch3<=>c3h5-s 1.400e+032 -7.140 10000.0 plog/ 0.1000 1.400e+032 -7.140 10000.0/ plog/ 1.0000 3.200e+035 -7.760 13300.0/ plog/ 10.0000 2.400e+038 -8.210 17100.0/ plog/ 100.0000 1.400e+039 -8.060 20200.0/ c3h5-s+o2<=>ch3cho+hco 1.000e+011 0.000 0.0 c3h5-s+h<=>c3h4-a+h2 3.333e+012 0.000 0.0 c3h5-s+ch3<=>c3h4-a+ch4 1.000e+011 0.000 0.0 c2h2+ch3<=>c3h5-t 6.800e+020 -4.160 18000.0 plog/ 0.1000 6.800e+020 -4.160 18000.0/ plog/ 1.0000 4.990e+022 -4.390 18850.0/ plog/ 2.0000 6.000e+023 -4.600 19571.0/ plog/ 5.0000 7.310e+025 -5.060 21150.0/ plog/ 10.0000 9.300e+027 -5.550 22900.0/ plog/ 100.0000 3.800e+036 -7.580 31300.0/ c3h4-a+h<=>c3h5-t 9.200e+038 -8.650 7000.0 plog/ 0.1000 9.200e+038 -8.650 7000.0/ plog/ 1.0000 9.460e+042 -9.430 11190.0/ plog/ 2.0000 8.470e+043 -9.590 12462.0/ plog/ 5.0000 6.980e+044 -9.700 14032.0/ plog/ 10.0000 1.500e+045 -9.690 15100.0/ plog/ 100.0000 1.800e+043 -8.780 16800.0/ c3h4-p+h<=>c3h5-t 4.600e+044 -10.210 10200.0 plog/ 0.1000 4.600e+044 -10.210 10200.0/ plog/ 1.0000 1.660e+047 -10.580 13690.0/ plog/ 2.0000 5.040e+047 -10.610 14707.0/ plog/ 5.0000 9.620e+047 -10.550 15910.0/ plog/ 10.0000 7.000e+047 -10.400 16600.0/ plog/ 100.0000 3.200e+044 -9.110 17400.0/ c3h5-s+h<=>c3h4-p+h2 3.340e+012 0.000 0.0 c3h5-s+o<=>c2h4+hco 6.000e+013 0.000 0.0 c3h5-s+oh=>c2h4+hco+h 5.000e+012 0.000 0.0 c3h5-s+ho2=>c2h4+hco+oh 2.000e+013 0.000 0.0 c3h5-s+hco<=>c3h6+co 9.000e+013 0.000 0.0 c3h5-s+ch3<=>c3h4-p+ch4 1.000e+011 0.000 0.0 c3h5-t<=>c3h5-s 1.600e+044 -12.160 52200.0 plog/ 0.1000 1.600e+044 -12.160 52200.0/ plog/ 1.0000 1.500e+048 -12.710 53900.0/ plog/ 10.0000 5.100e+052 -13.370 57200.0/ plog/ 100.0000 5.800e+051 -12.430 59200.0/ c3h4-a+h<=>c3h5-s 1.100e+030 -6.520 15200.0 plog/ 0.1000 1.100e+030 -6.520 15200.0/ plog/ 1.0000 5.400e+029 -6.090 16300.0/ plog/ 10.0000 2.600e+031 -6.230 18700.0/ plog/ 100.0000 3.200e+031 -5.880 21500.0/ c3h4-a+c3h4-a<=>c3h5-a+c3h3 5.000e+014 0.000 64746.7 c3h5-t+o2<=>c3h4-a+ho2 1.890e+030 -5.590 15540.0 c3h5-t+o2<=>ch3coch2+o 3.810e+017 -1.360 5580.0 c3h5-t+o2<=>ch3co+ch2o 1.000e+011 0.000 0.0 c3h5-t+h<=>c3h4-p+h2 3.340e+012 0.000 0.0 c3h5-t+ch3<=>c3h4-p+ch4 1.000e+011 0.000 0.0 c3h5-t+o<=>ch3+ch2co 6.000e+013 0.000 0.0 c3h5-t+oh=>ch3+ch2co+h 5.000e+012 0.000 0.0 c3h5-t+ho2=>ch3+ch2co+oh 2.000e+013 0.000 0.0 c3h5-t+hco<=>c3h6+co 9.000e+013 0.000 0.0 c3h4-p<=>c3h4-a 6.400e+061 -14.590 88200.0 plog/ 0.1000 6.400e+061 -14.590 88200.0/ plog/ 0.4000 5.810e+062 -14.630 91211.0/ plog/ 1.0000 5.150e+060 -13.930 91117.0/ plog/ 2.0000 7.640e+059 -13.590 91817.0/ plog/ 5.0000 3.120e+058 -13.070 92680.0/ plog/ 10.0000 1.900e+057 -12.620 93300.0/ plog/ 100.0000 1.400e+052 -10.860 95400.0/ c3h3+ho2<=>c3h4-a+o2 3.000e+011 0.000 0.0 c3h4-a+ho2=>ch2co+ch2+oh 4.000e+012 0.000 19000.0 c3h4-a+oh<=>ch2co+ch3 3.120e+012 0.000 -397.0 c3h4-a+oh<=>c3h3+h2o 5.300e+006 2.000 2000.0 c3h4-a+o<=>c2h4+co 2.000e+007 1.800 1000.0 c3h4-a+o<=>c2h2+ch2o 3.000e-003 4.610 -4243.0 c3h4-a+h<=>c3h3+h2 1.300e+006 2.000 5500.0 c3h4-a+ch3<=>c3h3+ch4 1.300e+012 0.000 7700.0 c3h4-a+c3h5-a<=>c3h3+c3h6 2.000e+011 0.000 7700.0 c3h4-a+c2h<=>c2h2+c3h3 1.000e+013 0.000 0.0 c3h4-p<=>cc3h4 3.400e+046 -10.970 68900.0 plog/ 0.1000 3.400e+046 -10.970 68900.0/ plog/ 0.4000 2.840e+045 -10.450 69284.0/ plog/ 1.0000 1.200e+044 -9.920 69250.0/ plog/ 2.0000 5.470e+042 -9.430 69089.0/ plog/ 5.0000 3.920e+040 -8.690 68706.0/ plog/ 10.0000 5.300e+038 -8.060 68300.0/ plog/ 100.0000 2.800e+031 -5.690 66400.0/ c3h4-p+h<=>c3h4-a+h 2.300e+015 -0.260 7600.0 plog/ 0.1000 2.300e+015 -0.260 7600.0/ plog/ 1.0000 6.270e+017 -0.910 10079.0/ plog/ 2.0000 1.500e+018 -1.000 10756.0/ plog/ 5.0000 1.930e+018 -1.010 11523.0/ plog/ 10.0000 3.100e+022 -2.180 14800.0/ plog/ 100.0000 6.400e+027 -3.580 21200.0/ c3h4-p+h<=>c3h5-s 1.000e+025 -5.000 1800.0 plog/ 0.1000 1.000e+025 -5.000 1800.0/ plog/ 1.0000 5.500e+028 -5.740 4300.0/ plog/ 10.0000 1.000e+034 -6.880 8900.0/ plog/ 100.0000 9.700e+037 -7.630 13800.0/ c3h4-p+h<=>c3h5-a 1.100e+060 -14.560 28100.0 plog/ 0.1000 1.100e+060 -14.560 28100.0/ plog/ 1.0000 4.910e+060 -14.370 31644.0/ plog/ 2.0000 3.040e+060 -14.190 32642.0/ plog/ 5.0000 9.020e+059 -13.890 33953.0/ plog/ 10.0000 2.200e+059 -13.610 34900.0/ plog/ 100.0000 1.600e+055 -12.070 37500.0/ c3h4-p+h<=>c3h3+h2 1.300e+006 2.000 5500.0 c3h4-p+c3h3<=>c3h4-a+c3h3 6.140e+006 1.740 10450.0 c3h4-p+o<=>hcco+ch3 7.300e+012 0.000 2250.0 c3h4-p+o<=>c2h4+co 1.000e+013 0.000 2250.0 c3h4-p+oh<=>c3h3+h2o 1.000e+006 2.000 100.0 c3h4-p+c2h<=>c2h2+c3h3 1.000e+013 0.000 0.0 c3h4-p+ch3<=>c3h3+ch4 1.800e+012 0.000 7700.0 c2h2+ch3<=>c3h4-p+h 4.500e+006 1.860 11600.0 plog/ 0.1000 4.500e+006 1.860 11600.0/ plog/ 1.0000 2.560e+009 1.100 13644.0/ plog/ 2.0000 2.070e+010 0.850 14415.0/ plog/ 5.0000 2.510e+011 0.560 15453.0/ plog/ 10.0000 1.100e+012 0.390 16200.0/ plog/ 100.0000 2.100e+012 0.370 18100.0/ cc3h4<=>c3h4-a 2.300e+039 -8.810 47800.0 plog/ 0.1000 2.300e+039 -8.810 47800.0/ plog/ 0.4000 7.590e+040 -9.070 48831.0/ plog/ 1.0000 4.890e+041 -9.170 49594.0/ plog/ 2.0000 8.810e+041 -9.150 50073.0/ plog/ 5.0000 4.330e+041 -8.930 50475.0/ plog/ 10.0000 7.200e+040 -8.600 50600.0/ plog/ 100.0000 1.600e+035 -6.640 49500.0/ c3h3+h<=>c3h4-p 1.500e+013 0.000 0.0 c3h3+h<=>c3h4-a 2.500e+012 0.000 0.0 c2h+ch3<=>c3h4-p 8.000e+013 0.000 0.0 c3h3+ho2<=>c3h4-p+o2 2.500e+012 0.000 0.0 c3h4-p+ho2=>c2h4+co+oh 3.000e+012 0.000 19000.0 c3h4-p+oh<=>ch2co+ch3 5.000e-004 4.500 -1000.0 c3h4-p+o<=>c2h3+hco 3.200e+012 0.000 2010.0 c3h4-p+o<=>c3h3+oh 7.650e+008 1.500 8600.0 c3h4-p+c2h3<=>c3h3+c2h4 1.000e+012 0.000 7700.0 c3h4-p+c3h5-a<=>c3h3+c3h6 1.000e+012 0.000 7700.0 c3h3+o<=>ch2o+c2h 2.000e+013 0.000 0.0 c3h3+o2<=>ch2co+hco 3.000e+010 0.000 2868.0 c3h3+ho2=>oh+co+c2h3 8.000e+011 0.000 0.0 c3h3+hco<=>c3h4-a+co 2.500e+013 0.000 0.0 c3h3+hco<=>c3h4-p+co 2.500e+013 0.000 0.0 c2h5+c2h<=>c3h3+ch3 1.810e+013 0.000 0.0 c3h4-a+ho2=>c2h4+co+oh 1.000e+012 0.000 14000.0 c3h4-a+ho2<=>c3h3+h2o2 3.000e+013 0.000 14000.0 c2h2+ch3<=>c3h4-a+h 2.400e+009 0.910 20700.0 plog/ 0.1000 2.400e+009 0.910 20700.0/ plog/ 1.0000 5.140e+009 0.860 22153.0/ plog/ 2.0000 1.330e+010 0.750 22811.0/ plog/ 5.0000 9.200e+010 0.540 23950.0/ plog/ 10.0000 5.100e+011 0.350 25000.0/ plog/ 100.0000 7.300e+012 0.110 28500.0/ ch3chco+oh<=>c2h5+co2 1.730e+012 0.000 -1010.0 ch3chco+oh<=>sc2h4oh+co 2.000e+012 0.000 -1010.0 ch3chco+h<=>c2h5+co 4.400e+012 0.000 1459.0 ch3chco+o<=>ch3cho+co 3.200e+012 0.000 -437.0 nc3h7+ho2<=>nc3h7o+oh 7.000e+012 0.000 -1000.0 ic3h7+ho2<=>ic3h7o+oh 7.000e+012 0.000 -1000.0 ch3o2+nc3h7<=>ch3o+nc3h7o 7.000e+012 0.000 -1000.0 ch3o2+ic3h7<=>ch3o+ic3h7o 7.000e+012 0.000 -1000.0 nc3h7+o2<=>nc3h7o2 4.520e+012 0.000 0.0 ic3h7+o2<=>ic3h7o2 7.540e+012 0.000 0.0 nc3h7o2+ch2o<=>nc3h7o2h+hco 5.600e+012 0.000 13600.0 nc3h7o2+ch3cho<=>nc3h7o2h+ch3co 2.800e+012 0.000 13600.0 ic3h7o2+ch2o<=>ic3h7o2h+hco 5.600e+012 0.000 13600.0 ic3h7o2+ch3cho<=>ic3h7o2h+ch3co 2.800e+012 0.000 13600.0 nc3h7o2+ho2<=>nc3h7o2h+o2 1.750e+010 0.000 -3275.0 ic3h7o2+ho2<=>ic3h7o2h+o2 1.750e+010 0.000 -3275.0 c2h4+nc3h7o2<=>c2h3+nc3h7o2h 1.130e+013 0.000 30430.0 c2h4+ic3h7o2<=>c2h3+ic3h7o2h 1.130e+013 0.000 30430.0 ch3oh+nc3h7o2<=>ch2oh+nc3h7o2h 6.300e+012 0.000 19360.0 ch3oh+ic3h7o2<=>ch2oh+ic3h7o2h 6.300e+012 0.000 19360.0 c2h3cho+nc3h7o2<=>c2h3co+nc3h7o2h 2.800e+012 0.000 13600.0 c2h3cho+ic3h7o2<=>c2h3co+ic3h7o2h 2.800e+012 0.000 13600.0 ch4+nc3h7o2<=>ch3+nc3h7o2h 1.120e+013 0.000 24640.0 ch4+ic3h7o2<=>ch3+ic3h7o2h 1.120e+013 0.000 24640.0 nc3h7o2+ch3o2=>nc3h7o+ch3o+o2 1.400e+016 -1.610 1860.0 ic3h7o2+ch3o2=>ic3h7o+ch3o+o2 1.400e+016 -1.610 1860.0 h2+nc3h7o2<=>h+nc3h7o2h 3.010e+013 0.000 26030.0 h2+ic3h7o2<=>h+ic3h7o2h 3.010e+013 0.000 26030.0 ic3h7o2+c2h6<=>ic3h7o2h+c2h5 1.700e+013 0.000 20460.0 nc3h7o2+c2h6<=>nc3h7o2h+c2h5 1.700e+013 0.000 20460.0 ic3h7o2+c2h5cho<=>ic3h7o2h+c2h5co 2.000e+011 0.000 9500.0 nc3h7o2+c2h5cho<=>nc3h7o2h+c2h5co 2.000e+011 0.000 9500.0 ic3h7o2+ch3co3=>ic3h7o+ch3co2+o2 1.400e+016 -1.610 1860.0 nc3h7o2+ch3co3=>nc3h7o+ch3co2+o2 1.400e+016 -1.610 1860.0 ic3h7o2+c2h5o2=>ic3h7o+c2h5o+o2 1.400e+016 -1.610 1860.0 nc3h7o2+c2h5o2=>nc3h7o+c2h5o+o2 1.400e+016 -1.610 1860.0 ic3h7o2+ic3h7o2=>o2+ic3h7o+ic3h7o 1.400e+016 -1.610 1860.0 nc3h7o2+nc3h7o2=>o2+nc3h7o+nc3h7o 1.400e+016 -1.610 1860.0 ic3h7o2+nc3h7o2=>ic3h7o+nc3h7o+o2 1.400e+016 -1.610 1860.0 ic3h7o2+ch3<=>ic3h7o+ch3o 7.000e+012 0.000 -1000.0 ic3h7o2+c2h5<=>ic3h7o+c2h5o 7.000e+012 0.000 -1000.0 ic3h7o2+ic3h7<=>ic3h7o+ic3h7o 7.000e+012 0.000 -1000.0 ic3h7o2+nc3h7<=>ic3h7o+nc3h7o 7.000e+012 0.000 -1000.0 ic3h7o2+c3h5-a<=>ic3h7o+c3h5o 7.000e+012 0.000 -1000.0 nc3h7o2+ch3<=>nc3h7o+ch3o 7.000e+012 0.000 -1000.0 nc3h7o2+c2h5<=>nc3h7o+c2h5o 7.000e+012 0.000 -1000.0 nc3h7o2+ic3h7<=>nc3h7o+ic3h7o 7.000e+012 0.000 -1000.0 nc3h7o2+nc3h7<=>nc3h7o+nc3h7o 7.000e+012 0.000 -1000.0 nc3h7o2+c3h5-a<=>nc3h7o+c3h5o 7.000e+012 0.000 -1000.0 nc3h7o2h<=>nc3h7o+oh 1.500e+016 0.000 42500.0 ic3h7o+oh<=>ic3h7o2h 1.000e+015 -0.800 0.0 c2h5+ch2o<=>nc3h7o 1.000e+011 0.000 3496.0 c2h5cho+h<=>nc3h7o 4.000e+012 0.000 6260.0 ch3+ch3cho<=>ic3h7o 1.000e+011 0.000 9256.0 ch3coch3+h<=>ic3h7o 2.000e+012 0.000 7270.0 ic3h7o+o2<=>ch3coch3+ho2 9.090e+009 0.000 390.0 nc3h7o2<=>c3h6ooh1-2 6.000e+011 0.000 26850.0 nc3h7o2<=>c3h6ooh1-3 1.125e+011 0.000 24400.0 ic3h7o2<=>c3h6ooh2-1 1.800e+012 0.000 29400.0 ic3h7o2<=>c3h6ooh2-2 1.230e+035 -6.960 48880.0 c3h6ooh1-2<=>c3h6o1-2+oh 6.000e+011 0.000 22000.0 c3h6ooh1-3<=>c3h6o1-3+oh 7.500e+010 0.000 15250.0 c3h6ooh2-1<=>c3h6o1-2+oh 6.000e+011 0.000 22000.0 c3h6+ho2<=>c3h6ooh1-2 1.000e+011 0.000 11000.0 c3h6+ho2<=>c3h6ooh2-1 1.000e+011 0.000 11750.0 c3h6ooh1-3=>oh+ch2o+c2h4 3.035e+015 -0.790 27400.0 c3h6ooh2-1<=>c2h3ooh+ch3 6.540e+027 -5.140 38320.0 c3h6ooh1-2=>c2h4+ch2o+oh 1.310e+033 -7.010 48120.0 c3h6ooh2-2<=>ch3coch3+oh 9.000e+014 0.000 1500.0 c3h6ooh1-2+o2<=>c3h6ooh1-2o2 5.000e+012 0.000 0.0 c3h6ooh1-3+o2<=>c3h6ooh1-3o2 4.520e+012 0.000 0.0 c3h6ooh2-1+o2<=>c3h6ooh2-1o2 4.520e+012 0.000 0.0 c3h6ooh1-2o2<=>c3ket12+oh 6.000e+011 0.000 26400.0 c3h6ooh1-3o2<=>c3ket13+oh 7.500e+010 0.000 21400.0 c3h6ooh2-1o2<=>c3ket21+oh 3.000e+011 0.000 23850.0 c3h6ooh2-1o2<=>c3h51-2,3ooh 1.125e+011 0.000 24400.0 c3h6ooh1-2o2<=>c3h51-2,3ooh 9.000e+011 0.000 29400.0 c3h51-2,3ooh<=>ac3h5ooh+ho2 2.560e+013 -0.490 17770.0 c3h6ooh1-3o2<=>c3h52-1,3ooh 6.000e+011 0.000 26850.0 c3h52-1,3ooh<=>ac3h5ooh+ho2 1.150e+014 -0.630 17250.0 c3ket12=>ch3cho+hco+oh 9.450e+015 0.000 43000.0 c3ket13=>ch2o+ch2cho+oh 1.000e+016 0.000 43000.0 c3ket21=>ch2o+ch3co+oh 1.000e+016 0.000 43000.0 c3h5o+oh<=>ac3h5ooh 2.000e+013 0.000 0.0 c3h5o<=>c2h3cho+h 1.000e+014 0.000 29100.0 c2h3+ch2o<=>c3h5o 1.500e+011 0.000 10600.0 c3h5o+o2<=>c2h3cho+ho2 1.000e+012 0.000 6000.0 c2h3ooh<=>ch2cho+oh 8.400e+014 0.000 43000.0 c3h6o1-2<=>c2h4+ch2o 6.000e+014 0.000 60000.0 c3h6o1-2+oh=>ch2o+c2h3+h2o 5.000e+012 0.000 0.0 c3h6o1-2+h=>ch2o+c2h3+h2 2.630e+007 2.000 5000.0 c3h6o1-2+o=>ch2o+c2h3+oh 8.430e+013 0.000 5200.0 c3h6o1-2+ho2=>ch2o+c2h3+h2o2 1.000e+013 0.000 15000.0 c3h6o1-2+ch3o2=>ch2o+c2h3+ch3o2h 1.000e+013 0.000 19000.0 c3h6o1-2+ch3=>ch2o+c2h3+ch4 2.000e+011 0.000 10000.0 c3h6o1-3<=>c2h4+ch2o 6.000e+014 0.000 60000.0 c3h6o1-3+oh=>ch2o+c2h3+h2o 5.000e+012 0.000 0.0 c3h6o1-3+o=>ch2o+c2h3+oh 8.430e+013 0.000 5200.0 c3h6o1-3+h=>ch2o+c2h3+h2 2.630e+007 2.000 5000.0 c3h6o1-3+ch3o2=>ch2o+c2h3+ch3o2h 1.000e+013 0.000 19000.0 c3h6o1-3+ho2=>ch2o+c2h3+h2o2 1.000e+013 0.000 15000.0 c3h6o1-3+ch3=>ch2o+c2h3+ch4 2.000e+011 0.000 10000.0 ic3h7o2<=>c3h6+ho2 1.196e+043 -9.430 41530.0 nc3h7o2<=>c3h6+ho2 4.308e+036 -7.500 39510.0 c4h10(+m)<=>c2h5+c2h5(+m) 1.355e+037 -6.036 92929.0 low/ 4.720e+018 0.000 49578.0/ troe/ 7.998e-002 1.000e-020 3.243e+004 4.858e+003/ c4h10(+m)<=>nc3h7+ch3(+m) 6.600e+052 -10.626 100330.0 low/ 5.340e+017 0.000 42959.0/ troe/ 9.502e-002 1.000e-020 5.348e+003 4.326e+003/ pc4h9+h<=>c4h10 3.610e+013 0.000 0.0 sc4h9+h<=>c4h10 3.610e+013 0.000 0.0 c4h10+o2<=>pc4h9+ho2 6.000e+013 0.000 52340.0 c4h10+o2<=>sc4h9+ho2 4.000e+013 0.000 49800.0 c4h10+c3h5-a<=>pc4h9+c3h6 7.940e+011 0.000 20500.0 c4h10+c3h5-a<=>sc4h9+c3h6 3.160e+011 0.000 16400.0 c4h10+c2h5<=>pc4h9+c2h6 1.580e+011 0.000 12300.0 c4h10+c2h5<=>sc4h9+c2h6 1.000e+011 0.000 10400.0 c4h10+c2h3<=>pc4h9+c2h4 1.000e+012 0.000 18000.0 c4h10+c2h3<=>sc4h9+c2h4 8.000e+011 0.000 16800.0 c4h10+ch3<=>pc4h9+ch4 9.040e-001 3.650 7154.0 c4h10+ch3<=>sc4h9+ch4 3.020e+000 3.460 5481.0 c4h10+h<=>pc4h9+h2 3.490e+005 2.690 6450.0 c4h10+h<=>sc4h9+h2 2.600e+006 2.400 4471.0 c4h10+oh<=>pc4h9+h2o 1.054e+010 0.970 1586.0 c4h10+oh<=>sc4h9+h2o 9.340e+007 1.610 -35.0 c4h10+o<=>pc4h9+oh 1.130e+014 0.000 7850.0 c4h10+o<=>sc4h9+oh 5.620e+013 0.000 5200.0 c4h10+ho2<=>pc4h9+h2o2 4.080e+001 3.590 17160.0 c4h10+ho2<=>sc4h9+h2o2 1.264e+002 3.370 13720.0 c4h10+ch3o<=>pc4h9+ch3oh 3.000e+011 0.000 7000.0 c4h10+ch3o<=>sc4h9+ch3oh 6.000e+011 0.000 7000.0 c4h10+c2h5o<=>pc4h9+c2h5oh 3.000e+011 0.000 7000.0 c4h10+c2h5o<=>sc4h9+c2h5oh 6.000e+011 0.000 7000.0 c4h10+pc4h9<=>sc4h9+c4h10 1.000e+011 0.000 10400.0 c4h10+ch3co3<=>pc4h9+ch3co3h 1.700e+013 0.000 20460.0 c4h10+ch3co3<=>sc4h9+ch3co3h 1.120e+013 0.000 17700.0 c4h10+o2cho<=>pc4h9+ho2cho 1.680e+013 0.000 20440.0 c4h10+o2cho<=>sc4h9+ho2cho 1.120e+013 0.000 17690.0 ch3o2+c4h10<=>ch3o2h+pc4h9 1.386e+000 3.970 18280.0 ch3o2+c4h10<=>ch3o2h+sc4h9 2.037e+001 3.580 14810.0 c2h5o2+c4h10<=>c2h5o2h+pc4h9 4.080e+001 3.590 17160.0 c2h5o2+c4h10<=>c2h5o2h+sc4h9 1.264e+002 3.370 13720.0 nc3h7o2+c4h10<=>nc3h7o2h+pc4h9 1.700e+013 0.000 20460.0 nc3h7o2+c4h10<=>nc3h7o2h+sc4h9 1.120e+013 0.000 17700.0 ic3h7o2+c4h10<=>ic3h7o2h+pc4h9 1.700e+013 0.000 20460.0 ic3h7o2+c4h10<=>ic3h7o2h+sc4h9 1.120e+013 0.000 17700.0 pc4h9o2+c3h8<=>pc4h9o2h+nc3h7 1.700e+013 0.000 20460.0 pc4h9o2+c3h8<=>pc4h9o2h+ic3h7 2.000e+012 0.000 17000.0 pc4h9o2+c4h10<=>pc4h9o2h+pc4h9 1.700e+013 0.000 20460.0 pc4h9o2+c4h10<=>pc4h9o2h+sc4h9 1.120e+013 0.000 17700.0 sc4h9o2+c3h8<=>sc4h9o2h+nc3h7 1.700e+013 0.000 20460.0 sc4h9o2+c3h8<=>sc4h9o2h+ic3h7 2.000e+012 0.000 17000.0 sc4h9o2+c4h10<=>sc4h9o2h+pc4h9 1.700e+013 0.000 20460.0 sc4h9o2+c4h10<=>sc4h9o2h+sc4h9 1.120e+013 0.000 17700.0 pc4h9<=>sc4h9 3.560e+010 0.880 37300.0 dup pc4h9<=>sc4h9 3.800e+010 0.670 36600.0 dup c2h5+c2h4<=>pc4h9 1.320e+004 2.480 6130.0 c3h6+ch3<=>sc4h9 1.760e+004 2.480 6130.0 c4h8-1+h<=>pc4h9 2.500e+011 0.510 2620.0 c4h8-2+h<=>sc4h9 2.500e+011 0.510 2620.0 c4h8-1+h<=>sc4h9 4.240e+011 0.510 1230.0 pc4h9+o2<=>c4h8-1+ho2 8.370e-001 3.590 11960.0 sc4h9+o2<=>c4h8-1+ho2 5.350e-001 3.710 9322.0 sc4h9+o2<=>c4h8-2+ho2 1.070e+000 3.710 9322.0 c2h3+c2h5<=>c4h8-1 9.000e+012 0.000 0.0 c3h5-a+ch3(+m)<=>c4h8-1(+m) 1.000e+014 -0.320 -262.3 low/ 3.910e+060 -12.810 6250.0/ troe/ 1.040e-001 1.606e+003 6.000e+004 6.118e+003/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ ar/ 0.70/ h+c4h71-3<=>c4h8-1 5.000e+013 0.000 0.0 c4h8-1+o2<=>c4h71-3+ho2 2.000e+013 0.000 37190.0 c4h8-1+o<=>c4h71-3+oh 1.750e+011 0.700 5884.0 c4h8-2+o<=>c4h71-3+oh 2.190e+011 0.810 7550.0 c4h8-1+h<=>c4h71-3+h2 1.730e+005 2.500 2492.0 c4h8-1+h<=>c4h71-4+h2 6.651e+005 2.540 6756.0 c4h8-1+oh<=>c4h71-1+h2o 9.000e+005 2.000 2500.0 c4h8-1+oh<=>c4h71-2+h2o 2.220e+006 2.000 1451.0 c4h8-1+oh<=>c4h71-3+h2o 3.120e+006 2.000 -298.0 c4h8-1+oh<=>c4h71-4+h2o 5.270e+009 0.970 1586.0 c4h8-1+ch3<=>c4h71-3+ch4 2.210e+000 3.500 5675.0 c4h8-1+ch3<=>c4h71-4+ch4 4.520e-001 3.650 7154.0 c4h8-1+ho2<=>c4h71-3+h2o2 2.700e+004 0.700 5884.0 c4h8-1+ho2<=>c4h71-4+h2o2 2.380e+003 2.550 16490.0 c4h8-1+ch3o2<=>c4h71-3+ch3o2h 2.700e+004 0.700 5884.0 c4h8-1+ch3o2<=>c4h71-4+ch3o2h 2.380e+003 2.550 16490.0 c4h8-1+ch3o<=>c4h71-3+ch3oh 4.000e+001 2.900 8609.0 c4h8-1+ch3o<=>c4h71-4+ch3oh 2.170e+011 0.000 6458.0 c4h8-1+ch3co3<=>c4h71-3+ch3co3h 1.000e+011 0.000 8000.0 c4h8-1+c3h5-a<=>c4h71-3+c3h6 7.900e+010 0.000 12400.0 c4h71-3+c4h71-3<=>c4h8-1+c4h6 1.600e+012 0.000 0.0 c4h8-1+c2h5o2<=>c4h71-3+c2h5o2h 1.400e+012 0.000 14900.0 c4h8-1+nc3h7o2<=>c4h71-3+nc3h7o2h 1.400e+012 0.000 14900.0 c4h8-1+ic3h7o2<=>c4h71-3+ic3h7o2h 1.400e+012 0.000 14900.0 c4h8-1+pc4h9o2<=>c4h71-3+pc4h9o2h 1.400e+012 0.000 14900.0 c4h8-1+sc4h9o2<=>c4h71-3+sc4h9o2h 1.400e+012 0.000 14900.0 c4h8-1+ch3o2<=>c4h8o1-2+ch3o 1.000e+012 0.000 14340.0 h+c4h71-3<=>c4h8-2 5.000e+013 0.000 0.0 c4h8-2+o2<=>c4h71-3+ho2 4.000e+013 0.000 39390.0 c4h8-2+h<=>c4h71-3+h2 4.440e+004 2.810 4414.0 c4h8-2+oh<=>c4h71-3+h2o 5.100e+008 1.400 1250.0 c4h8-2+ch3<=>c4h71-3+ch4 7.140e+000 3.570 7642.0 c4h8-2+ho2<=>c4h71-3+h2o2 5.940e+004 2.570 16140.0 c4h8-2+ch3o2<=>c4h71-3+ch3o2h 5.940e+004 2.570 16140.0 c4h8-2+ch3o<=>c4h71-3+ch3oh 1.800e+001 2.950 11990.0 c4h8-2+c2h5o2<=>c4h71-3+c2h5o2h 3.200e+012 0.000 14900.0 c4h8-2+nc3h7o2<=>c4h71-3+nc3h7o2h 3.200e+012 0.000 14900.0 c4h8-2+ic3h7o2<=>c4h71-3+ic3h7o2h 3.200e+012 0.000 14900.0 c4h8-2+pc4h9o2<=>c4h71-3+pc4h9o2h 3.200e+012 0.000 14900.0 c4h8-2+sc4h9o2<=>c4h71-3+sc4h9o2h 3.200e+012 0.000 14900.0 c4h8-1+ho2<=>c4h8o1-2+oh 1.000e+012 0.000 14340.0 c4h8-2+ho2<=>c4h8o2-3+oh 5.620e+011 0.000 12310.0 c4h8-2+ch3o2<=>c4h8o2-3+ch3o 5.620e+011 0.000 12310.0 c4h8-1+oh<=>pc4h8oh 4.750e+012 0.000 -782.0 c4h8-2+oh<=>sc4h8oh 4.750e+012 0.000 -782.0 pc4h8oh+o2<=>c4h8oh-1o2 2.000e+012 0.000 0.0 sc4h8oh+o2<=>c4h8oh-2o2 2.000e+012 0.000 0.0 c4h8oh-1o2=>c2h5cho+ch2o+oh 1.000e+016 0.000 25000.0 c4h8oh-2o2=>oh+ch3cho+ch3cho 1.000e+016 0.000 25000.0 c2h2+c2h5<=>c4h71-1 2.000e+011 0.000 7800.0 c3h4-a+ch3<=>c4h71-2 2.000e+011 0.000 7800.0 c2h4+c2h3<=>c4h71-4 2.000e+011 0.000 7800.0 c3h4-p+ch3<=>c4h72-2 1.000e+011 0.000 7800.0 c4h6+h<=>c4h71-3 4.000e+013 0.000 1300.0 c4h71-3+c2h5<=>c4h8-1+c2h4 2.590e+012 0.000 -131.0 c4h71-3+ch3o<=>c4h8-1+ch2o 2.410e+013 0.000 0.0 c4h71-3+o<=>c2h3cho+ch3 6.030e+013 0.000 0.0 c4h71-3+ho2<=>c4h7o+oh 9.640e+012 0.000 0.0 c4h71-3+ch3o2<=>c4h7o+ch3o 9.640e+012 0.000 0.0 c3h5-a+c4h71-3<=>c3h6+c4h6 6.310e+012 0.000 0.0 c4h71-3+o2<=>c4h6+ho2 1.000e+009 0.000 0.0 h+c4h71-3<=>c4h6+h2 3.160e+013 0.000 0.0 c2h5+c4h71-3<=>c4h6+c2h6 3.980e+012 0.000 0.0 c2h3+c4h71-3<=>c2h4+c4h6 3.980e+012 0.000 0.0 c4h71-3+c2h5o2<=>c4h7o+c2h5o 3.800e+012 0.000 -1200.0 ic3h7o2+c4h71-3<=>ic3h7o+c4h7o 3.800e+012 0.000 -1200.0 nc3h7o2+c4h71-3<=>nc3h7o+c4h7o 3.800e+012 0.000 -1200.0 c4h7o<=>ch3cho+c2h3 7.940e+014 0.000 19000.0 c4h7o<=>c2h3cho+ch3 7.940e+014 0.000 19000.0 c4h6<=>c4h5-i+h 5.700e+036 -6.270 112353.0 c4h6<=>c4h5-n+h 5.300e+044 -8.620 123608.0 c4h6<=>c4h4+h2 2.500e+015 0.000 94700.0 c4h6+h<=>c4h5-n+h2 1.330e+006 2.530 12240.0 c4h6+h<=>c4h5-i+h2 6.650e+005 2.530 9240.0 c4h6+h<=>c2h4+c2h3 1.460e+030 -4.340 21647.0 plog/ 1.0000 1.460e+030 -4.340 21647.0/ plog/ 10.0000 5.450e+030 -4.510 21877.0/ c4h6+h<=>c3h4-p+ch3 2.000e+012 0.000 7000.0 c4h6+h<=>c3h4-a+ch3 2.000e+012 0.000 7000.0 c4h6+o<=>c4h5-n+oh 7.500e+006 1.900 3740.0 c4h6+o<=>c4h5-i+oh 7.500e+006 1.900 3740.0 c4h6+o<=>c2h2+c2h4o1-2 1.000e+008 1.450 -860.0 c4h6+o<=>ch3chchco+h 5.000e+007 1.450 -860.0 c4h6+o<=>ch2chchcho+h 4.500e+008 1.450 -860.0 c4h6+oh<=>c4h5-n+h2o 6.200e+006 2.000 3430.0 c4h6+oh<=>c4h5-i+h2o 3.100e+006 2.000 430.0 c4h6+ho2<=>c4h6o25+oh 1.200e+012 0.000 14000.0 c4h6+ho2<=>c2h3choch2+oh 4.800e+012 0.000 14000.0 c4h6+ch3<=>c4h5-n+ch4 2.000e+014 0.000 22800.0 c4h6+ch3<=>c4h5-i+ch4 1.000e+014 0.000 19800.0 c4h6+c2h3<=>c4h5-n+c2h4 5.000e+013 0.000 22800.0 c4h6+c2h3<=>c4h5-i+c2h4 2.500e+013 0.000 19800.0 c4h6+c3h3<=>c4h5-n+c3h4-a 1.000e+013 0.000 22500.0 c4h6+c3h3<=>c4h5-i+c3h4-a 5.000e+012 0.000 19500.0 c4h6+c3h5-a<=>c4h5-n+c3h6 1.000e+013 0.000 22500.0 c4h6+c3h5-a<=>c4h5-i+c3h6 5.000e+012 0.000 19500.0 c4h71-4<=>c4h6+h 2.480e+053 -12.300 52000.0 plog/ 1.0000 2.480e+053 -12.300 52000.0/ plog/ 10.0000 1.850e+048 -10.500 51770.0/ c2h3+c2h2<=>c4h4+h 7.200e+013 -0.480 6100.0 plog/ 0.0132 7.200e+013 -0.480 6100.0/ plog/ 0.0263 5.000e+014 -0.710 6700.0/ plog/ 0.1200 4.600e+016 -1.250 8400.0/ plog/ 1.0000 2.000e+018 -1.680 10600.0/ plog/ 10.0000 4.900e+016 -1.130 11800.0/ c2h3+c2h2<=>c4h5-n 1.100e+031 -7.140 5600.0 plog/ 0.0132 1.100e+031 -7.140 5600.0/ plog/ 0.0263 1.100e+032 -7.330 6200.0/ plog/ 0.1200 2.400e+031 -6.950 5600.0/ plog/ 1.0000 9.300e+038 -8.760 12000.0/ plog/ 10.0000 8.100e+037 -8.090 13400.0/ c2h3+c2h2<=>c4h5-i 5.000e+034 -8.420 7900.0 plog/ 0.0132 5.000e+034 -8.420 7900.0/ plog/ 0.0263 2.100e+036 -8.780 9100.0/ plog/ 0.1200 1.000e+037 -8.770 9800.0/ plog/ 1.0000 1.600e+046 -10.980 18600.0/ plog/ 10.0000 5.100e+053 -12.640 28800.0/ c2h3+c2h3<=>c4h6 7.000e+057 -13.820 17629.0 plog/ 0.0263 7.000e+057 -13.820 17629.0/ plog/ 0.1200 1.500e+052 -11.970 16056.0/ plog/ 1.0000 1.500e+042 -8.840 12483.0/ c2h3+c2h3<=>c4h5-i+h 1.500e+030 -4.950 12958.0 plog/ 0.0263 1.500e+030 -4.950 12958.0/ plog/ 0.1200 7.200e+028 -4.490 14273.0/ plog/ 1.0000 1.200e+022 -2.440 13654.0/ c2h3+c2h3<=>c4h5-n+h 1.100e+024 -3.280 12395.0 plog/ 0.0263 1.100e+024 -3.280 12395.0/ plog/ 0.1200 4.600e+024 -3.380 14650.0/ plog/ 1.0000 2.400e+020 -2.040 15361.0/ c4h5-n<=>c4h5-i 2.400e+060 -16.080 47500.0 plog/ 0.0132 2.400e+060 -16.080 47500.0/ plog/ 0.0263 1.300e+062 -16.380 49600.0/ plog/ 0.1200 4.900e+066 -17.260 55400.0/ plog/ 1.0000 1.500e+067 -16.890 59100.0/ plog/ 10.0000 2.000e+060 -14.460 58600.0/ c4h5-n+h<=>c4h5-i+h 3.100e+026 -3.350 17423.0 c4h5-n+h<=>c4h4+h2 1.500e+013 0.000 0.0 c4h5-n+oh<=>c4h4+h2o 2.000e+012 0.000 0.0 c4h5-n+hco<=>c4h6+co 5.000e+012 0.000 0.0 c4h5-n+ho2=>c2h3+ch2co+oh 6.600e+012 0.000 0.0 c4h5-n+h2o2<=>c4h6+ho2 1.210e+010 0.000 -596.0 c4h5-n+ho2<=>c4h6+o2 6.000e+011 0.000 0.0 c4h5-n+o2<=>ch2chchcho+o 3.000e+011 0.290 11.0 c4h5-n+o2<=>hco+c2h3cho 9.200e+016 -1.390 1010.0 c4h5-i+h<=>c4h4+h2 3.000e+013 0.000 0.0 c4h5-i+h<=>c3h3+ch3 2.000e+013 0.000 2000.0 c4h5-i+oh<=>c4h4+h2o 4.000e+012 0.000 0.0 c4h5-i+hco<=>c4h6+co 5.000e+012 0.000 0.0 c4h5-i+ho2<=>c4h6+o2 6.000e+011 0.000 0.0 c4h5-i+ho2=>c2h3+ch2co+oh 6.600e+012 0.000 0.0 c4h5-i+h2o2<=>c4h6+ho2 1.210e+010 0.000 -596.0 c4h5-i+o2<=>ch2co+ch2cho 2.160e+010 0.000 2500.0 c4h5-2<=>c4h5-i 1.500e+067 -16.890 59100.0 c4h5-2+h<=>c4h5-i+h 3.100e+026 -3.350 17423.0 c4h5-2+ho2=>oh+c2h2+ch3co 8.000e+011 0.000 0.0 c4h5-2+o2<=>ch3co+ch2co 2.160e+010 0.000 2500.0 c4h612<=>c4h5-i+h 4.200e+015 0.000 92600.0 c4h612+h<=>c4h6+h 2.000e+013 0.000 4000.0 c4h612+h<=>c4h5-i+h2 1.700e+005 2.500 2490.0 c4h612+h<=>c3h4-a+ch3 2.000e+013 0.000 2000.0 c4h612+h<=>c3h4-p+ch3 2.000e+013 0.000 2000.0 c4h612+ch3<=>c4h5-i+ch4 7.000e+013 0.000 18500.0 c4h612+o<=>ch2co+c2h4 1.200e+008 1.650 327.0 c4h612+o<=>c4h5-i+oh 1.800e+011 0.700 5880.0 c4h612+oh<=>c4h5-i+h2o 3.100e+006 2.000 -298.0 c4h612<=>c4h6 3.000e+013 0.000 65000.0 c4h6-2<=>c4h6 3.000e+013 0.000 65000.0 c4h6-2<=>c4h612 3.000e+013 0.000 67000.0 c4h6-2+h<=>c4h612+h 2.000e+013 0.000 4000.0 c4h6-2+h<=>c4h5-2+h2 3.400e+005 2.500 2490.0 c4h6-2+h<=>ch3+c3h4-p 2.600e+005 2.500 1000.0 c4h6-2<=>h+c4h5-2 5.000e+015 0.000 87300.0 c4h6-2+ch3<=>c4h5-2+ch4 1.400e+014 0.000 18500.0 c2h3choch2<=>c4h6o23 2.000e+014 0.000 50600.0 c4h6o23<=>ch3chchcho 1.950e+013 0.000 49400.0 c4h6o23<=>c2h4+ch2co 5.750e+015 0.000 69300.0 c4h6o23<=>c2h2+c2h4o1-2 1.000e+016 0.000 75800.0 c4h6o25<=>c4h4o+h2 5.300e+012 0.000 48500.0 c4h4o<=>co+c3h4-p 1.780e+015 0.000 77500.0 c4h4o<=>c2h2+ch2co 5.010e+014 0.000 77500.0 ch3chchcho<=>c3h6+co 3.900e+014 0.000 69000.0 ch3chchcho+h<=>ch2chchcho+h2 1.700e+005 2.500 2490.0 ch3chchcho+h<=>ch3chchco+h2 1.000e+005 2.500 2490.0 ch3chchcho+h<=>ch3+c2h3cho 4.000e+021 -2.390 11180.0 ch3chchcho+h<=>c3h6+hco 4.000e+021 -2.390 11180.0 ch3chchcho+ch3<=>ch2chchcho+ch4 2.100e+000 3.500 5675.0 ch3chchcho+ch3<=>ch3chchco+ch4 1.100e+000 3.500 5675.0 ch3chchcho+c2h3<=>ch2chchcho+c2h4 2.210e+000 3.500 4682.0 ch3chchcho+c2h3<=>ch3chchco+c2h4 1.110e+000 3.500 4682.0 ch3chchco<=>c3h5-s+co 1.000e+014 0.000 30000.0 ch3chchco+h<=>ch3chchcho 1.000e+014 0.000 0.0 ch2chchcho<=>c3h5-a+co 1.000e+014 0.000 25000.0 ch2chchcho+h<=>ch3chchcho 1.000e+014 0.000 0.0 c4h4+h<=>c4h5-n 1.200e+051 -12.570 12300.0 plog/ 0.0132 1.200e+051 -12.570 12300.0/ plog/ 0.0263 4.200e+050 -12.340 12500.0/ plog/ 0.1200 1.100e+050 -11.940 13400.0/ plog/ 1.0000 1.300e+051 -11.920 16500.0/ plog/ 10.0000 6.200e+045 -10.080 15800.0/ c4h4+h<=>c4h5-i 6.100e+053 -13.190 14200.0 plog/ 0.0132 6.100e+053 -13.190 14200.0/ plog/ 0.0263 9.600e+052 -12.850 14300.0/ plog/ 0.1200 2.100e+052 -12.440 15500.0/ plog/ 1.0000 4.900e+051 -11.920 17700.0/ plog/ 10.0000 1.500e+048 -10.580 18800.0/ c4h4+h<=>c4h3-n+h2 6.650e+005 2.530 12240.0 c4h4+h<=>c4h3-i+h2 3.330e+005 2.530 9240.0 c4h4+oh<=>c4h3-n+h2o 3.100e+007 2.000 3430.0 c4h4+oh<=>c4h3-i+h2o 1.550e+007 2.000 430.0 c4h4+o<=>c3h3+hco 6.000e+008 1.450 -860.0 c3h3+hcco<=>c4h4+co 2.500e+013 0.000 0.0 c3h3+ch<=>c4h3-i+h 5.000e+013 0.000 0.0 c3h3+ch2<=>c4h4+h 5.000e+013 0.000 0.0 c3h3+ch3(+m)<=>c4h612(+m) 1.500e+012 0.000 0.0 low/ 2.600e+057 -11.940 9770.0/ troe/ 1.750e-001 1.341e+003 6.000e+004 9.770e+003/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ ar/ 0.70/ c2h2+c2h(+m)<=>c4h3-n(+m) 8.300e+010 0.899 -363.0 low/ 1.240e+031 -4.718 1871.0/ troe/ 1.000e+000 1.000e+002 5.613e+003 1.339e+004/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ c2h2/ 2.50/ c2h4/ 2.50/ c4h3-n<=>c4h3-i 4.100e+043 -9.490 53000.0 c4h3-n+h<=>c4h3-i+h 2.500e+020 -1.670 10800.0 c4h3-n+h<=>c2h2+h2cc 6.300e+025 -3.340 10014.0 c4h3-n+h<=>c4h4 2.000e+047 -10.260 13070.0 c4h3-n+h<=>c4h2+h2 3.000e+013 0.000 0.0 c4h3-n+oh<=>c4h2+h2o 2.000e+012 0.000 0.0 c2h2+c2h(+m)<=>c4h3-i(+m) 8.300e+010 0.899 -363.0 low/ 1.240e+031 -4.718 1871.0/ troe/ 1.000e+000 1.000e+002 5.613e+003 1.339e+004/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ c2h2/ 2.50/ c2h4/ 2.50/ c4h3-i+h<=>c2h2+h2cc 2.800e+023 -2.550 10780.0 c4h3-i+h<=>c4h4 3.400e+043 -9.010 12120.0 c4h3-i+h<=>c4h2+h2 6.000e+013 0.000 0.0 c4h3-i+oh<=>c4h2+h2o 4.000e+012 0.000 0.0 c4h3-i+o2<=>hcco+ch2co 7.860e+016 -1.800 0.0 c4h3-i+ch2<=>c3h4-a+c2h 2.000e+013 0.000 0.0 c2h2+c2h<=>c4h2+h 9.600e+013 0.000 0.0 c4h2+h<=>c4h3-n 1.100e+042 -8.720 15300.0 c4h2+h<=>c4h3-i 1.100e+030 -4.920 10800.0 c4h2+oh<=>h2c4o+h 6.600e+012 0.000 -410.0 h2c4o+h<=>c2h2+hcco 5.000e+013 0.000 3000.0 h2c4o+oh<=>ch2co+hcco 1.000e+007 2.000 2000.0 h2cc+c2h2(+m)<=>c4h4(+m) 3.500e+005 2.055 -2400.0 low/ 1.400e+060 -12.599 7417.0/ troe/ 9.800e-001 5.600e+001 5.800e+002 4.164e+003/ h2/ 2.00/ h2o/ 6.00/ ch4/ 2.00/ co/ 1.50/ co2/ 2.00/ c2h6/ 3.00/ c2h2/ 3.00/ c2h4/ 3.00/ h2cc+c2h4<=>c4h6 1.000e+012 0.000 0.0 c4h8o1-2+oh=>ch2o+c3h5-a+h2o 5.000e+012 0.000 0.0 c4h8o1-2+h=>ch2o+c3h5-a+h2 5.000e+012 0.000 0.0 c4h8o1-2+o=>ch2o+c3h5-a+oh 5.000e+012 0.000 0.0 c4h8o1-2+ho2=>ch2o+c3h5-a+h2o2 1.000e+013 0.000 15000.0 c4h8o1-2+ch3o2=>ch2o+c3h5-a+ch3o2h 1.000e+013 0.000 19000.0 c4h8o1-2+ch3=>ch2o+c3h5-a+ch4 2.000e+011 0.000 10000.0 c4h8o1-3+oh=>ch2o+c3h5-a+h2o 5.000e+012 0.000 0.0 c4h8o1-3+h=>ch2o+c3h5-a+h2 5.000e+012 0.000 0.0 c4h8o1-3+o=>ch2o+c3h5-a+oh 5.000e+012 0.000 0.0 c4h8o1-3+ho2=>ch2o+c3h5-a+h2o2 1.000e+013 0.000 15000.0 c4h8o1-3+ch3o2=>ch2o+c3h5-a+ch3o2h 1.000e+013 0.000 19000.0 c4h8o1-3+ch3=>ch2o+c3h5-a+ch4 2.000e+011 0.000 10000.0 c4h8o1-4+oh=>ch2o+c3h5-a+h2o 5.000e+012 0.000 0.0 c4h8o1-4+h=>ch2o+c3h5-a+h2 5.000e+012 0.000 0.0 c4h8o1-4+o=>ch2o+c3h5-a+oh 5.000e+012 0.000 0.0 c4h8o1-4+ho2=>ch2o+c3h5-a+h2o2 1.000e+013 0.000 15000.0 c4h8o1-4+ch3o2=>ch2o+c3h5-a+ch3o2h 1.000e+013 0.000 19000.0 c4h8o1-4+ch3=>ch2o+c3h5-a+ch4 2.000e+011 0.000 10000.0 c4h8o2-3+oh=>ch2o+c3h5-a+h2o 5.000e+012 0.000 0.0 c4h8o2-3+h=>ch2o+c3h5-a+h2 5.000e+012 0.000 0.0 c4h8o2-3+o=>ch2o+c3h5-a+oh 5.000e+012 0.000 0.0 c4h8o2-3+ho2=>ch2o+c3h5-a+h2o2 1.000e+013 0.000 15000.0 c4h8o2-3+ch3o2=>ch2o+c3h5-a+ch3o2h 1.000e+013 0.000 19000.0 c4h8o2-3+ch3=>ch2o+c3h5-a+ch4 2.000e+011 0.000 10000.0 pc4h9+o2<=>pc4h9o2 4.520e+012 0.000 0.0 sc4h9+o2<=>sc4h9o2 7.540e+012 0.000 0.0 sc4h9o2+ch2o<=>sc4h9o2h+hco 5.600e+012 0.000 13600.0 sc4h9o2+ch3cho<=>sc4h9o2h+ch3co 2.800e+012 0.000 13600.0 sc4h9o2+ho2<=>sc4h9o2h+o2 1.750e+010 0.000 -3275.0 ic3h7o2+pc4h9<=>ic3h7o+pc4h9o 7.000e+012 0.000 -1000.0 ic3h7o2+sc4h9<=>ic3h7o+sc4h9o 7.000e+012 0.000 -1000.0 nc3h7o2+pc4h9<=>nc3h7o+pc4h9o 7.000e+012 0.000 -1000.0 nc3h7o2+sc4h9<=>nc3h7o+sc4h9o 7.000e+012 0.000 -1000.0 sc4h9o2+sc4h9o2=>o2+sc4h9o+sc4h9o 1.400e+016 -1.610 1860.0 sc4h9o2+nc3h7o2=>sc4h9o+nc3h7o+o2 1.400e+016 -1.610 1860.0 sc4h9o2+ic3h7o2=>sc4h9o+ic3h7o+o2 1.400e+016 -1.610 1860.0 sc4h9o2+c2h5o2=>sc4h9o+c2h5o+o2 1.400e+016 -1.610 1860.0 sc4h9o2+ch3o2=>sc4h9o+ch3o+o2 1.400e+016 -1.610 1860.0 sc4h9o2+ch3co3=>sc4h9o+ch3co2+o2 1.400e+016 -1.610 1860.0 h2+pc4h9o2<=>h+pc4h9o2h 3.010e+013 0.000 26030.0 h2+sc4h9o2<=>h+sc4h9o2h 3.010e+013 0.000 26030.0 c2h6+pc4h9o2<=>c2h5+pc4h9o2h 1.700e+013 0.000 20460.0 c2h6+sc4h9o2<=>c2h5+sc4h9o2h 1.700e+013 0.000 20460.0 pc4h9o2+c2h5cho<=>pc4h9o2h+c2h5co 2.000e+011 0.000 9500.0 sc4h9o2+c2h5cho<=>sc4h9o2h+c2h5co 2.000e+011 0.000 9500.0 sc4h9o2+ch3<=>sc4h9o+ch3o 7.000e+012 0.000 -1000.0 sc4h9o2+c2h5<=>sc4h9o+c2h5o 7.000e+012 0.000 -1000.0 sc4h9o2+ic3h7<=>sc4h9o+ic3h7o 7.000e+012 0.000 -1000.0 sc4h9o2+nc3h7<=>sc4h9o+nc3h7o 7.000e+012 0.000 -1000.0 sc4h9o2+pc4h9<=>sc4h9o+pc4h9o 7.000e+012 0.000 -1000.0 sc4h9o2+sc4h9<=>sc4h9o+sc4h9o 7.000e+012 0.000 -1000.0 sc4h9o2+c3h5-a<=>sc4h9o+c3h5o 7.000e+012 0.000 -1000.0 pc4h9o2+ch2o<=>pc4h9o2h+hco 5.600e+012 0.000 13600.0 pc4h9o2+ch3cho<=>pc4h9o2h+ch3co 2.800e+012 0.000 13600.0 pc4h9o2+ho2<=>pc4h9o2h+o2 1.750e+010 0.000 -3275.0 c3h6+pc4h9o2<=>c3h5-a+pc4h9o2h 3.240e+011 0.000 14900.0 c3h6+sc4h9o2<=>c3h5-a+sc4h9o2h 3.240e+011 0.000 14900.0 c2h4+pc4h9o2<=>c2h3+pc4h9o2h 1.130e+013 0.000 30430.0 c2h4+sc4h9o2<=>c2h3+sc4h9o2h 1.130e+013 0.000 30430.0 ch3oh+pc4h9o2<=>ch2oh+pc4h9o2h 6.300e+012 0.000 19360.0 ch3oh+sc4h9o2<=>ch2oh+sc4h9o2h 6.300e+012 0.000 19360.0 c2h3cho+pc4h9o2<=>c2h3co+pc4h9o2h 2.800e+012 0.000 13600.0 c2h3cho+sc4h9o2<=>c2h3co+sc4h9o2h 2.800e+012 0.000 13600.0 ch4+pc4h9o2<=>ch3+pc4h9o2h 1.120e+013 0.000 24640.0 ch4+sc4h9o2<=>ch3+sc4h9o2h 1.120e+013 0.000 24640.0 c4h71-3+pc4h9o2<=>c4h7o+pc4h9o 7.000e+012 0.000 -1000.0 c4h71-3+sc4h9o2<=>c4h7o+sc4h9o 7.000e+012 0.000 -1000.0 h2o2+pc4h9o2<=>ho2+pc4h9o2h 2.400e+012 0.000 10000.0 h2o2+sc4h9o2<=>ho2+sc4h9o2h 2.400e+012 0.000 10000.0 pc4h9o2+pc4h9o2=>o2+pc4h9o+pc4h9o 1.400e+016 -1.610 1860.0 pc4h9o2+sc4h9o2=>pc4h9o+sc4h9o+o2 1.400e+016 -1.610 1860.0 pc4h9o2+nc3h7o2=>pc4h9o+nc3h7o+o2 1.400e+016 -1.610 1860.0 pc4h9o2+ic3h7o2=>pc4h9o+ic3h7o+o2 1.400e+016 -1.610 1860.0 pc4h9o2+c2h5o2=>pc4h9o+c2h5o+o2 1.400e+016 -1.610 1860.0 pc4h9o2+ch3o2=>pc4h9o+ch3o+o2 1.400e+016 -1.610 1860.0 pc4h9o2+ch3co3=>pc4h9o+ch3co2+o2 1.400e+016 -1.610 1860.0 pc4h9o2+ch3<=>pc4h9o+ch3o 7.000e+012 0.000 -1000.0 pc4h9o2+c2h5<=>pc4h9o+c2h5o 7.000e+012 0.000 -1000.0 pc4h9o2+ic3h7<=>pc4h9o+ic3h7o 7.000e+012 0.000 -1000.0 pc4h9o2+nc3h7<=>pc4h9o+nc3h7o 7.000e+012 0.000 -1000.0 pc4h9o2+pc4h9<=>pc4h9o+pc4h9o 7.000e+012 0.000 -1000.0 pc4h9o2+sc4h9<=>pc4h9o+sc4h9o 7.000e+012 0.000 -1000.0 pc4h9o2+c3h5-a<=>pc4h9o+c3h5o 7.000e+012 0.000 -1000.0 pc4h9+ho2<=>pc4h9o+oh 7.000e+012 0.000 -1000.0 sc4h9+ho2<=>sc4h9o+oh 7.000e+012 0.000 -1000.0 ch3o2+pc4h9<=>ch3o+pc4h9o 7.000e+012 0.000 -1000.0 ch3o2+sc4h9<=>ch3o+sc4h9o 7.000e+012 0.000 -1000.0 pc4h9o2h<=>pc4h9o+oh 1.500e+016 0.000 42500.0 sc4h9o+oh<=>sc4h9o2h 1.000e+015 -0.800 0.0 nc3h7+ch2o<=>pc4h9o 5.000e+010 0.000 3457.0 ch3+c2h5cho<=>sc4h9o 5.000e+010 0.000 9043.0 c2h5+ch3cho<=>sc4h9o 3.330e+010 0.000 6397.0 pc4h9o2<=>c4h8ooh1-2 2.000e+011 0.000 31850.0 pc4h9o2<=>c4h8ooh1-3 2.500e+010 0.000 20850.0 pc4h9o2<=>c4h8ooh1-4 4.688e+009 0.000 22350.0 sc4h9o2<=>c4h8ooh2-1 3.000e+011 0.000 34500.0 sc4h9o2<=>c4h8ooh2-3 2.000e+011 0.000 31850.0 sc4h9o2<=>c4h8ooh2-4 3.750e+010 0.000 24400.0 pc4h9o2<=>c4h8-1+ho2 4.308e+036 -7.500 39510.0 sc4h9o2<=>c4h8-1+ho2 5.980e+042 -9.430 41530.0 sc4h9o2<=>c4h8-2+ho2 4.308e+036 -7.500 39510.0 c4h8-1+ho2<=>c4h8ooh1-2 1.000e+011 0.000 11000.0 c4h8-1+ho2<=>c4h8ooh2-1 1.000e+011 0.000 11750.0 c4h8-2+ho2<=>c4h8ooh2-3 1.000e+011 0.000 11750.0 c4h8ooh1-2<=>c4h8o1-2+oh 1.380e+012 0.000 15900.0 c4h8ooh1-3<=>c4h8o1-3+oh 2.040e+011 0.000 19500.0 c4h8ooh1-4<=>c4h8o1-4+oh 5.130e+010 0.000 14800.0 c4h8ooh2-1<=>c4h8o1-2+oh 3.980e+012 0.000 17000.0 c4h8ooh2-3<=>c4h8o2-3+oh 1.380e+012 0.000 15900.0 c4h8ooh2-4<=>c4h8o1-3+oh 4.470e+011 0.000 21900.0 c4h8ooh1-1<=>nc3h7cho+oh 9.000e+014 0.000 1500.0 c4h8ooh2-2<=>c2h5coch3+oh 9.000e+014 0.000 1500.0 c4h8ooh1-3=>oh+ch2o+c3h6 6.635e+013 -0.160 29900.0 c4h8ooh2-4=>oh+ch3cho+c2h4 1.945e+018 -1.630 26790.0 c4h8ooh1-2+o2<=>c4h8ooh1-2o2 7.540e+012 0.000 0.0 c4h8ooh1-3+o2<=>c4h8ooh1-3o2 7.540e+012 0.000 0.0 c4h8ooh1-4+o2<=>c4h8ooh1-4o2 4.520e+012 0.000 0.0 c4h8ooh2-1+o2<=>c4h8ooh2-1o2 4.520e+012 0.000 0.0 c4h8ooh2-3+o2<=>c4h8ooh2-3o2 7.540e+012 0.000 0.0 c4h8ooh2-4+o2<=>c4h8ooh2-4o2 4.520e+012 0.000 0.0 c4h8ooh1-2o2<=>nc4ket12+oh 2.000e+011 0.000 31500.0 c4h8ooh1-3o2<=>nc4ket13+oh 2.500e+010 0.000 21400.0 c4h8ooh1-4o2<=>nc4ket14+oh 3.125e+009 0.000 19350.0 c4h8ooh2-1o2<=>nc4ket21+oh 1.000e+011 0.000 28850.0 c4h8ooh2-3o2<=>nc4ket23+oh 1.000e+011 0.000 28850.0 c4h8ooh2-4o2<=>nc4ket24+oh 1.250e+010 0.000 17850.0 nc4ket12=>c2h5cho+hco+oh 1.050e+016 0.000 41600.0 nc4ket13=>ch3cho+ch2cho+oh 1.050e+016 0.000 41600.0 nc4ket14=>ch2ch2cho+ch2o+oh 1.500e+016 0.000 42000.0 nc4ket21=>ch2o+c2h5co+oh 1.500e+016 0.000 42000.0 nc4ket23=>ch3cho+ch3co+oh 1.050e+016 0.000 41600.0 nc4ket24=>ch2o+ch3coch2+oh 1.500e+016 0.000 42000.0 c2h5coch3+oh<=>ch2ch2coch3+h2o 7.550e+009 0.970 1586.0 c2h5coch3+oh<=>ch3chcoch3+h2o 8.450e+011 0.000 -228.0 c2h5coch3+oh<=>c2h5coch2+h2o 5.100e+011 0.000 1192.0 c2h5coch3+ho2<=>ch2ch2coch3+h2o2 2.380e+004 2.550 16490.0 c2h5coch3+ho2<=>ch3chcoch3+h2o2 2.000e+011 0.000 8698.0 c2h5coch3+ho2<=>c2h5coch2+h2o2 2.380e+004 2.550 14690.0 c2h5coch3+o<=>ch2ch2coch3+oh 2.250e+013 0.000 7700.0 c2h5coch3+o<=>ch3chcoch3+oh 3.070e+013 0.000 3400.0 c2h5coch3+o<=>c2h5coch2+oh 5.000e+012 0.000 5962.0 c2h5coch3+h<=>ch2ch2coch3+h2 9.160e+006 2.000 7700.0 c2h5coch3+h<=>ch3chcoch3+h2 4.460e+006 2.000 3200.0 c2h5coch3+h<=>c2h5coch2+h2 9.300e+012 0.000 6357.0 c2h5coch3+o2<=>ch2ch2coch3+ho2 2.050e+013 0.000 51310.0 c2h5coch3+o2<=>ch3chcoch3+ho2 1.550e+013 0.000 41970.0 c2h5coch3+o2<=>c2h5coch2+ho2 2.050e+013 0.000 49150.0 c2h5coch3+ch3<=>ch2ch2coch3+ch4 3.190e+001 3.170 7172.0 c2h5coch3+ch3<=>ch3chcoch3+ch4 1.740e+000 3.460 3680.0 c2h5coch3+ch3<=>c2h5coch2+ch4 1.620e+011 0.000 9630.0 c2h5coch3+ch3o<=>ch2ch2coch3+ch3oh 2.170e+011 0.000 6460.0 c2h5coch3+ch3o<=>ch3chcoch3+ch3oh 1.450e+011 0.000 2771.0 c2h5coch3+ch3o<=>c2h5coch2+ch3oh 2.170e+011 0.000 4660.0 c2h5coch3+ch3o2<=>ch2ch2coch3+ch3o2h 3.010e+012 0.000 19380.0 c2h5coch3+ch3o2<=>ch3chcoch3+ch3o2h 2.000e+012 0.000 15250.0 c2h5coch3+ch3o2<=>c2h5coch2+ch3o2h 3.010e+012 0.000 17580.0 c2h5coch3+c2h3<=>ch2ch2coch3+c2h4 5.000e+011 0.000 10400.0 c2h5coch3+c2h3<=>ch3chcoch3+c2h4 3.000e+011 0.000 3400.0 c2h5coch3+c2h3<=>c2h5coch2+c2h4 6.150e+010 0.000 4278.0 c2h5coch3+c2h5<=>ch2ch2coch3+c2h6 5.000e+010 0.000 13400.0 c2h5coch3+c2h5<=>ch3chcoch3+c2h6 3.000e+010 0.000 8600.0 c2h5coch3+c2h5<=>c2h5coch2+c2h6 5.000e+010 0.000 11600.0 ch3chcoch3+o2<=>ch3choococh3 1.000e+011 0.000 0.0 ch3choococh3<=>ch2choohcoch3 8.900e+012 0.000 29700.0 c2h3coch3+ho2<=>ch2choohcoch3 7.000e+010 0.000 7800.0 ch2ch2cho<=>c2h4+hco 3.127e+013 -0.520 24590.0 ch2ch2coch3<=>c2h4+ch3co 1.000e+014 0.000 18000.0 c2h5coch2<=>ch2co+c2h5 1.000e+014 0.000 35000.0 c2h3coch3+h<=>ch3chcoch3 5.000e+012 0.000 1200.0 ch3chco+ch3<=>ch3chcoch3 1.230e+011 0.000 7800.0 nc3h7cho+o2<=>nc3h7co+ho2 1.200e+005 2.500 37560.0 nc3h7cho+oh<=>nc3h7co+h2o 2.000e+006 1.800 -1300.0 nc3h7cho+h<=>nc3h7co+h2 4.140e+009 1.120 2320.0 nc3h7cho+o<=>nc3h7co+oh 5.940e+012 0.000 1868.0 nc3h7cho+ho2<=>nc3h7co+h2o2 4.090e+004 2.500 10200.0 nc3h7cho+ch3<=>nc3h7co+ch4 2.890e-003 4.620 3210.0 nc3h7cho+ch3o<=>nc3h7co+ch3oh 1.000e+012 0.000 3300.0 nc3h7cho+ch3o2<=>nc3h7co+ch3o2h 4.090e+004 2.500 10200.0 nc3h7cho+oh<=>c3h6cho-1+h2o 5.280e+009 0.970 1586.0 nc3h7cho+oh<=>c3h6cho-2+h2o 4.680e+007 1.610 -35.0 nc3h7cho+oh<=>c3h6cho-3+h2o 5.520e+002 3.120 -1176.0 nc3h7cho+ho2<=>c3h6cho-1+h2o2 2.379e+004 2.550 16490.0 nc3h7cho+ho2<=>c3h6cho-2+h2o2 9.640e+003 2.600 13910.0 nc3h7cho+ho2<=>c3h6cho-3+h2o2 3.440e+012 0.050 17880.0 nc3h7cho+ch3o2<=>c3h6cho-1+ch3o2h 2.379e+004 2.550 16490.0 nc3h7cho+ch3o2<=>c3h6cho-2+ch3o2h 9.640e+003 2.600 13910.0 nc3h7cho+ch3o2<=>c3h6cho-3+ch3o2h 3.440e+012 0.050 17880.0 nc3h7co<=>nc3h7+co 1.000e+011 0.000 9600.0 c3h6cho-1<=>c2h4+ch2cho 7.400e+011 0.000 21970.0 c2h5chco+h<=>c3h6cho-3 5.000e+012 0.000 1200.0 c2h3cho+ch3<=>c3h6cho-3 1.230e+011 0.000 7800.0 sc3h5cho+h<=>c3h6cho-2 5.000e+012 0.000 2900.0 c3h6+hco<=>c3h6cho-2 1.000e+011 0.000 6000.0 c2h5chco+oh<=>nc3h7+co2 3.730e+012 0.000 -1010.0 c2h5chco+h<=>nc3h7+co 4.400e+012 0.000 1459.0 c2h5chco+o<=>c3h6+co2 3.200e+012 0.000 -437.0 sc3h5cho+oh<=>sc3h5co+h2o 2.690e+010 0.760 -340.0 c3h5-s+co<=>sc3h5co 5.000e+012 0.000 8000.0 sc3h5cho+ho2<=>sc3h5co+h2o2 1.000e+012 0.000 11920.0 sc3h5cho+ch3<=>sc3h5co+ch4 3.980e+012 0.000 8700.0 sc3h5cho+o<=>sc3h5co+oh 7.180e+012 0.000 1389.0 sc3h5cho+o2<=>sc3h5co+ho2 4.000e+013 0.000 37600.0 sc3h5cho+h<=>sc3h5co+h2 2.600e+012 0.000 2600.0 c2h3coch3+oh<=>ch3cho+ch3co 1.000e+011 0.000 0.0 c2h3coch3+oh=>ch2co+c2h3+h2o 5.100e+011 0.000 1192.0 c2h3coch3+ho2=>ch2cho+ch3co+oh 6.030e+009 0.000 7949.0 c2h3coch3+ho2=>ch2co+c2h3+h2o2 8.500e+012 0.000 20460.0 c2h3coch3+ch3o2=>ch2cho+ch3co+ch3o 3.970e+011 0.000 17050.0 c2h3coch3+ch3o2=>ch2co+c2h3+ch3o2h 3.010e+012 0.000 17580.0 ic4h10(+m)<=>ch3+ic3h7(+m) 2.520e+031 -4.102 91495.0 low/ 2.410e+019 0.000 52576.0/ troe/ 3.662e-001 8.153e+002 6.079e+001 1.000e+020/ ic4h10<=>tc4h9+h 2.510e+098 -23.810 145300.0 ic4h10<=>ic4h9+h 9.850e+095 -23.110 147600.0 ic4h10+h<=>tc4h9+h2 6.020e+005 2.400 2583.0 ic4h10+h<=>ic4h9+h2 1.810e+006 2.540 6756.0 ic4h10+ch3<=>tc4h9+ch4 9.040e-001 3.460 4598.0 ic4h10+ch3<=>ic4h9+ch4 1.360e+000 3.650 7154.0 ic4h10+oh<=>tc4h9+h2o 2.925e+004 2.531 -1659.0 ic4h10+oh<=>ic4h9+h2o 6.654e+004 2.665 -168.9 ic4h10+c2h5<=>ic4h9+c2h6 1.510e+012 0.000 10400.0 ic4h10+c2h5<=>tc4h9+c2h6 1.000e+011 0.000 7900.0 ic4h10+ho2<=>ic4h9+h2o2 6.120e+001 3.590 17160.0 ic4h10+ho2<=>tc4h9+h2o2 4.332e+002 3.010 12090.0 ic4h10+o<=>tc4h9+oh 1.968e+005 2.402 1150.0 ic4h10+o<=>ic4h9+oh 4.046e+007 2.034 5136.0 ic4h10+ch3o<=>ic4h9+ch3oh 4.800e+011 0.000 7000.0 ic4h10+ch3o<=>tc4h9+ch3oh 1.900e+010 0.000 2800.0 ic4h10+o2<=>ic4h9+ho2 9.000e+013 0.000 52290.0 ic4h10+o2<=>tc4h9+ho2 1.000e+013 0.000 48200.0 ic4h10+ch3o2<=>ic4h9+ch3o2h 2.079e+000 3.970 18280.0 ic4h10+c2h5o2<=>ic4h9+c2h5o2h 2.550e+013 0.000 20460.0 ic4h10+ch3co3<=>ic4h9+ch3co3h 2.550e+013 0.000 20460.0 ic4h10+nc3h7o2<=>ic4h9+nc3h7o2h 2.550e+013 0.000 20460.0 ic4h10+ic3h7o2<=>ic4h9+ic3h7o2h 2.550e+013 0.000 20460.0 ic4h10+ic4h9o2<=>ic4h9+ic4h9o2h 2.550e+013 0.000 20460.0 ic4h10+tc4h9o2<=>ic4h9+tc4h9o2h 2.550e+013 0.000 20460.0 ic4h10+o2cho<=>ic4h9+ho2cho 2.520e+013 0.000 20440.0 ic4h10+o2cho<=>tc4h9+ho2cho 2.800e+012 0.000 16010.0 ic4h10+sc4h9o2<=>ic4h9+sc4h9o2h 2.250e+013 0.000 20460.0 ic4h10+sc4h9o2<=>tc4h9+sc4h9o2h 2.800e+012 0.000 16000.0 ic4h10+pc4h9o2<=>ic4h9+pc4h9o2h 2.250e+013 0.000 20460.0 ic4h10+pc4h9o2<=>tc4h9+pc4h9o2h 2.800e+012 0.000 16000.0 ic4h10+ch3o2<=>tc4h9+ch3o2h 1.366e+002 3.120 13190.0 ic4h10+c2h5o2<=>tc4h9+c2h5o2h 2.800e+012 0.000 16000.0 ic4h10+ch3co3<=>tc4h9+ch3co3h 2.800e+012 0.000 16000.0 ic4h10+nc3h7o2<=>tc4h9+nc3h7o2h 2.800e+012 0.000 16000.0 ic4h10+ic3h7o2<=>tc4h9+ic3h7o2h 2.800e+012 0.000 16000.0 ic4h10+ic4h9o2<=>tc4h9+ic4h9o2h 2.800e+012 0.000 16000.0 ic4h10+tc4h9o2<=>tc4h9+tc4h9o2h 2.800e+012 0.000 16000.0 ic4h10+ic4h9<=>tc4h9+ic4h10 2.500e+010 0.000 7900.0 ic4h9+ho2<=>ic4h9o+oh 7.000e+012 0.000 -1000.0 tc4h9+ho2<=>tc4h9o+oh 7.000e+012 0.000 -1000.0 ch3o2+ic4h9<=>ch3o+ic4h9o 7.000e+012 0.000 -1000.0 ch3o2+tc4h9<=>ch3o+tc4h9o 7.000e+012 0.000 -1000.0 ic4h9<=>tc4h9 3.560e+010 0.880 34600.0 ic4h8+h<=>ic4h9 6.250e+011 0.510 2620.0 c3h6+ch3<=>ic4h9 1.890e+003 2.670 6850.0 h+ic4h8<=>tc4h9 1.060e+012 0.510 1230.0 tc4h9+o2<=>ic4h8+ho2 8.370e-001 3.590 11960.0 ic4h9+o2<=>ic4h8+ho2 1.070e+000 3.710 9322.0 nc3h7o2+ic4h9<=>nc3h7o+ic4h9o 7.000e+012 0.000 -1000.0 nc3h7o2+tc4h9<=>nc3h7o+tc4h9o 7.000e+012 0.000 -1000.0 nc3h7o2+ic4h7<=>nc3h7o+ic4h7o 7.000e+012 0.000 -1000.0 sc4h9o2+ic4h9<=>sc4h9o+ic4h9o 7.000e+012 0.000 -1000.0 sc4h9o2+tc4h9<=>sc4h9o+tc4h9o 7.000e+012 0.000 -1000.0 pc4h9o2+ic4h9<=>pc4h9o+ic4h9o 7.000e+012 0.000 -1000.0 pc4h9o2+tc4h9<=>pc4h9o+tc4h9o 7.000e+012 0.000 -1000.0 pc4h9o2+ic4h7<=>pc4h9o+ic4h7o 7.000e+012 0.000 -1000.0 sc4h9o2+ic4h7<=>sc4h9o+ic4h7o 7.000e+012 0.000 -1000.0 ic4h9+o2<=>ic4h9o2 2.260e+012 0.000 0.0 tc4h9+o2<=>tc4h9o2 1.410e+013 0.000 0.0 ic4h9o2+c4h10<=>ic4h9o2h+sc4h9 1.120e+013 0.000 17700.0 tc4h9o2+c4h10<=>tc4h9o2h+sc4h9 1.120e+013 0.000 17700.0 ic4h9o2+c4h10<=>ic4h9o2h+pc4h9 1.700e+013 0.000 20460.0 tc4h9o2+c4h10<=>tc4h9o2h+pc4h9 1.700e+013 0.000 20460.0 ic3h7o2+ic4h9<=>ic3h7o+ic4h9o 7.000e+012 0.000 -1000.0 ic3h7o2+tc4h9<=>ic3h7o+tc4h9o 7.000e+012 0.000 -1000.0 ic3h7o2+ic4h7<=>ic3h7o+ic4h7o 7.000e+012 0.000 -1000.0 ic4h9o2+c3h6<=>ic4h9o2h+c3h5-a 3.240e+011 0.000 14900.0 tc4h9o2+c3h6<=>tc4h9o2h+c3h5-a 3.240e+011 0.000 14900.0 ic4h9o2+ic4h8<=>ic4h9o2h+ic4h7 1.400e+012 0.000 14900.0 tc4h9o2+ic4h8<=>tc4h9o2h+ic4h7 1.400e+012 0.000 14900.0 pc4h9o2+ic4h8<=>pc4h9o2h+ic4h7 1.400e+012 0.000 14900.0 sc4h9o2+ic4h8<=>sc4h9o2h+ic4h7 1.400e+012 0.000 14900.0 ic3h7o2+ic4h8<=>ic3h7o2h+ic4h7 1.400e+012 0.000 14900.0 nc3h7o2+ic4h8<=>nc3h7o2h+ic4h7 1.400e+012 0.000 14900.0 ic4h9o2+c4h8-1<=>ic4h9o2h+c4h71-3 1.400e+012 0.000 14900.0 tc4h9o2+c4h8-1<=>tc4h9o2h+c4h71-3 1.400e+012 0.000 14900.0 ic4h9o2+c4h8-2<=>ic4h9o2h+c4h71-3 1.400e+012 0.000 14900.0 tc4h9o2+c4h8-2<=>tc4h9o2h+c4h71-3 1.400e+012 0.000 14900.0 cc4h8o+oh=>ch2o+c3h5-a+h2o 5.000e+012 0.000 0.0 cc4h8o+h=>ch2o+c3h5-a+h2 3.510e+007 2.000 5000.0 cc4h8o+o=>ch2o+c3h5-a+oh 1.124e+014 0.000 5200.0 cc4h8o+ho2=>ch2o+c3h5-a+h2o2 1.000e+013 0.000 15000.0 cc4h8o+ch3o2=>ch2o+c3h5-a+ch3o2h 1.000e+013 0.000 19000.0 cc4h8o+ch3=>ch2o+c3h5-a+ch4 2.000e+011 0.000 10000.0 c2h4+tc4h9o2<=>c2h3+tc4h9o2h 8.590e+000 3.754 27132.0 tc4h9o2+ch4<=>tc4h9o2h+ch3 1.130e+013 0.000 20460.0 h2+tc4h9o2<=>h+tc4h9o2h 3.010e+013 0.000 26030.0 tc4h9o2+c2h6<=>tc4h9o2h+c2h5 1.700e+013 0.000 20460.0 tc4h9o2+c3h8<=>tc4h9o2h+ic3h7 2.000e+012 0.000 17000.0 tc4h9o2+c3h8<=>tc4h9o2h+nc3h7 1.700e+013 0.000 20460.0 tc4h9o2+ch3oh<=>tc4h9o2h+ch2oh 6.300e+012 0.000 19360.0 tc4h9o2+c2h5oh<=>tc4h9o2h+pc2h4oh 6.300e+012 0.000 19360.0 tc4h9o2+c2h5oh<=>tc4h9o2h+sc2h4oh 4.200e+012 0.000 15000.0 ic4h9o2+ch3cho<=>ic4h9o2h+ch3co 2.800e+012 0.000 13600.0 tc4h9o2+ch3cho<=>tc4h9o2h+ch3co 2.800e+012 0.000 13600.0 ic4h9o2+c2h3cho<=>ic4h9o2h+c2h3co 2.800e+012 0.000 13600.0 tc4h9o2+c2h3cho<=>tc4h9o2h+c2h3co 2.800e+012 0.000 13600.0 ic4h9o2+c2h5cho<=>ic4h9o2h+c2h5co 2.800e+012 0.000 13600.0 tc4h9o2+c2h5cho<=>tc4h9o2h+c2h5co 2.800e+012 0.000 13600.0 ic4h9o2+ho2<=>ic4h9o2h+o2 1.750e+010 0.000 -3275.0 tc4h9o2+ho2<=>tc4h9o2h+o2 1.750e+010 0.000 -3275.0 ic4h9o2+h2o2<=>ic4h9o2h+ho2 2.400e+012 0.000 10000.0 tc4h9o2+h2o2<=>tc4h9o2h+ho2 2.400e+012 0.000 10000.0 ic4h9o2+ch2o<=>ic4h9o2h+hco 1.300e+011 0.000 9000.0 tc4h9o2+ch2o<=>tc4h9o2h+hco 1.300e+011 0.000 9000.0 ic4h9o2+ch3o2=>ic4h9o+ch3o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+ch3o2=>tc4h9o+ch3o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+c2h5o2=>ic4h9o+c2h5o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+c2h5o2=>tc4h9o+c2h5o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+ch3co3=>ic4h9o+ch3co2+o2 1.400e+016 -1.610 1860.0 tc4h9o2+ch3co3=>tc4h9o+ch3co2+o2 1.400e+016 -1.610 1860.0 ic4h9o2+ic4h9o2=>o2+ic4h9o+ic4h9o 1.400e+016 -1.610 1860.0 ic4h9o2+tc4h9o2=>ic4h9o+tc4h9o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+tc4h9o2=>o2+tc4h9o+tc4h9o 1.400e+016 -1.610 1860.0 ic4h9o2+pc4h9o2=>ic4h9o+pc4h9o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+pc4h9o2=>tc4h9o+pc4h9o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+sc4h9o2=>ic4h9o+sc4h9o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+sc4h9o2=>tc4h9o+sc4h9o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+nc3h7o2=>ic4h9o+nc3h7o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+nc3h7o2=>tc4h9o+nc3h7o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+ic3h7o2=>ic4h9o+ic3h7o+o2 1.400e+016 -1.610 1860.0 tc4h9o2+ic3h7o2=>tc4h9o+ic3h7o+o2 1.400e+016 -1.610 1860.0 ic4h9o2+ho2=>ic4h9o+oh+o2 1.400e+016 -1.610 1860.0 tc4h9o2+ho2=>tc4h9o+oh+o2 1.400e+016 -1.610 1860.0 ic4h9o2+ch3<=>ic4h9o+ch3o 7.000e+012 0.000 -1000.0 ic4h9o2+c2h5<=>ic4h9o+c2h5o 7.000e+012 0.000 -1000.0 ic4h9o2+ic3h7<=>ic4h9o+ic3h7o 7.000e+012 0.000 -1000.0 ic4h9o2+nc3h7<=>ic4h9o+nc3h7o 7.000e+012 0.000 -1000.0 ic4h9o2+pc4h9<=>ic4h9o+pc4h9o 7.000e+012 0.000 -1000.0 ic4h9o2+sc4h9<=>ic4h9o+sc4h9o 7.000e+012 0.000 -1000.0 ic4h9o2+ic4h9<=>ic4h9o+ic4h9o 7.000e+012 0.000 -1000.0 ic4h9o2+tc4h9<=>ic4h9o+tc4h9o 7.000e+012 0.000 -1000.0 ic4h9o2+c3h5-a<=>ic4h9o+c3h5o 7.000e+012 0.000 -1000.0 ic4h9o2+c4h71-3<=>ic4h9o+c4h7o 7.000e+012 0.000 -1000.0 ic4h9o2+ic4h7<=>ic4h9o+ic4h7o 7.000e+012 0.000 -1000.0 tc4h9o2+ch3<=>tc4h9o+ch3o 7.000e+012 0.000 -1000.0 tc4h9o2+c2h5<=>tc4h9o+c2h5o 7.000e+012 0.000 -1000.0 tc4h9o2+ic3h7<=>tc4h9o+ic3h7o 7.000e+012 0.000 -1000.0 tc4h9o2+nc3h7<=>tc4h9o+nc3h7o 7.000e+012 0.000 -1000.0 tc4h9o2+pc4h9<=>tc4h9o+pc4h9o 7.000e+012 0.000 -1000.0 tc4h9o2+sc4h9<=>tc4h9o+sc4h9o 7.000e+012 0.000 -1000.0 tc4h9o2+ic4h9<=>tc4h9o+ic4h9o 7.000e+012 0.000 -1000.0 tc4h9o2+tc4h9<=>tc4h9o+tc4h9o 7.000e+012 0.000 -1000.0 tc4h9o2+c3h5-a<=>tc4h9o+c3h5o 7.000e+012 0.000 -1000.0 tc4h9o2+c4h71-3<=>tc4h9o+c4h7o 7.000e+012 0.000 -1000.0 tc4h9o2+ic4h7<=>tc4h9o+ic4h7o 7.000e+012 0.000 -1000.0 ic4h9o2+c2h4<=>ic4h9o2h+c2h3 2.000e+011 0.000 6000.0 ic4h9o2+ch4<=>ic4h9o2h+ch3 1.130e+013 0.000 20460.0 h2+ic4h9o2<=>h+ic4h9o2h 3.010e+013 0.000 26030.0 ic4h9o2+c2h6<=>ic4h9o2h+c2h5 1.700e+013 0.000 20460.0 ic4h9o2+c3h8<=>ic4h9o2h+ic3h7 2.000e+012 0.000 17000.0 ic4h9o2+c3h8<=>ic4h9o2h+nc3h7 1.700e+013 0.000 20460.0 ic4h9o2+ch3oh<=>ic4h9o2h+ch2oh 6.300e+012 0.000 19360.0 ic4h9o2+c2h5oh<=>ic4h9o2h+pc2h4oh 6.300e+012 0.000 19360.0 ic4h9o2+c2h5oh<=>ic4h9o2h+sc2h4oh 4.200e+012 0.000 15000.0 ic4h9o2h<=>ic4h9o+oh 1.500e+016 0.000 42500.0 tc4h9o2h<=>tc4h9o+oh 5.950e+015 0.000 42540.0 ic4h9o+ho2<=>ic3h7cho+h2o2 1.000e+012 0.000 0.0 ic4h9o+oh<=>ic3h7cho+h2o 1.810e+013 0.000 0.0 ic4h9o+ch3<=>ic3h7cho+ch4 2.400e+013 0.000 0.0 ic4h9o+o<=>ic3h7cho+oh 6.000e+012 0.000 0.0 ic4h9o+h<=>ic3h7cho+h2 1.990e+013 0.000 0.0 ic3h7cho+h<=>ic4h9o 1.000e+012 0.000 5860.0 ch2o+ic3h7<=>ic4h9o 5.000e+010 0.000 2330.0 ch3coch3+ch3<=>tc4h9o 1.500e+011 0.000 11900.0 ic4h9o+o2<=>ic3h7cho+ho2 1.930e+011 0.000 1660.0 tc4h9o+o2<=>ic4h8o+ho2 8.100e+011 0.000 4700.0 ic4h8o<=>ic3h7cho 4.180e+013 0.000 52720.0 ic4h8o+oh<=>ic3h6cho+h2o 1.250e+012 0.000 0.0 ic4h8o+h<=>ic3h6cho+h2 1.250e+012 0.000 0.0 ic4h8o+ho2<=>ic3h6cho+h2o2 2.500e+012 0.000 15000.0 ic4h8o+ch3o2<=>ic3h6cho+ch3o2h 2.500e+012 0.000 19000.0 ic4h8o+ch3<=>ic3h6cho+ch4 5.000e+010 0.000 10000.0 ic4h8o+o<=>ic3h6cho+oh 1.250e+012 0.000 0.0 tc3h6cho+h<=>ic3h7cho 2.000e+014 0.000 0.0 ic3h7+hco<=>ic3h7cho 1.810e+013 0.000 0.0 ic3h7cho+ho2<=>ic3h7co+h2o2 3.000e+012 0.000 11920.0 ic3h7cho+ho2<=>tc3h6cho+h2o2 8.000e+010 0.000 11920.0 ic3h7cho+ch3<=>ic3h7co+ch4 3.980e+012 0.000 8700.0 ic3h7cho+o<=>ic3h7co+oh 7.180e+012 0.000 1389.0 ic3h7cho+o2<=>ic3h7co+ho2 4.000e+013 0.000 37600.0 ic3h7cho+oh<=>ic3h7co+h2o 2.690e+010 0.760 -340.0 ic3h7cho+oh<=>tc3h6cho+h2o 1.684e+012 0.000 -781.0 ic3h7cho+h<=>ic3h7co+h2 2.600e+012 0.000 2600.0 ic3h7cho+oh<=>ic3h6cho+h2o 3.120e+006 2.000 -298.0 ic3h7cho+ho2<=>ic3h6cho+h2o2 2.740e+004 2.550 15500.0 ic3h7cho+ch3o2<=>ic3h6cho+ch3o2h 4.760e+004 2.550 16490.0 ic3h7+co<=>ic3h7co 1.500e+011 0.000 4810.0 c3h6+hco<=>ic3h6cho 1.000e+011 0.000 7800.0 c2h3cho+ch3<=>ic3h6cho 1.000e+011 0.000 7800.0 ic4h8+oh<=>ic4h8oh 9.930e+011 0.000 -960.0 ic4h8oh+o2<=>io2c4h8oh 1.200e+011 0.000 -1100.0 io2c4h8oh=>ch3coch3+ch2o+oh 1.250e+010 0.000 18900.0 ic4h9o2<=>ic4h8o2h-i 7.500e+010 0.000 24400.0 tc4h9o2<=>tc4h8o2h-i 9.000e+011 0.000 34500.0 ic4h9o2<=>ic4h8o2h-t 1.000e+011 0.000 29200.0 ic4h9o2<=>ic4h8+ho2 2.265e+035 -7.220 39490.0 tc4h9o2<=>ic4h8+ho2 7.612e+042 -9.410 41490.0 ic4h8o2h-i+o2<=>ic4h8ooh-io2 2.260e+012 0.000 0.0 tc4h8o2h-i+o2<=>tc4h8ooh-io2 2.260e+012 0.000 0.0 ic4h8o2h-t+o2<=>ic4h8ooh-to2 1.410e+013 0.000 0.0 ic4h8ooh-io2<=>ic4ketii+oh 5.000e+010 0.000 21400.0 ic4h8ooh-to2<=>ic4ketit+oh 4.000e+011 0.000 31500.0 tc4h8ooh-io2<=>tic4h7q2-i 7.500e+010 0.000 24400.0 ic4h7ooh+ho2<=>tic4h7q2-i 1.000e+011 0.000 10600.0 ic4h8ooh-io2<=>iic4h7q2-i 3.750e+010 0.000 24400.0 ic4h8ooh-io2<=>iic4h7q2-t 1.000e+011 0.000 29200.0 ic4h8ooh-to2<=>tic4h7q2-i 6.000e+011 0.000 34500.0 ac3h5ooh+ch2o2h<=>iic4h7q2-i 8.500e+010 0.000 10600.0 ic4h7ooh+ho2<=>iic4h7q2-t 1.000e+011 0.000 7800.0 ch2o2h<=>ch2o+oh 9.000e+014 0.000 1500.0 ic4ketii=>ch2o+c2h5co+oh 1.500e+016 0.000 42000.0 ic4ketit=>ch3coch3+hco+oh 9.500e+015 0.000 42540.0 ic4h8+ho2<=>tc4h8o2h-i 3.970e+011 0.000 12620.0 ic4h8+ho2<=>ic4h8o2h-t 3.970e+011 0.000 12620.0 ic4h8o2h-i<=>cc4h8o+oh 4.470e+011 0.000 21900.0 ic4h8o2h-t<=>ic4h8o+oh 3.090e+012 0.000 13400.0 tc4h8o2h-i<=>ic4h8o+oh 3.980e+012 0.000 17000.0 ic4h8o2h-i=>oh+ch2o+c3h6 8.451e+015 -0.680 29170.0 ic4h8<=>c3h5-t+ch3 1.920e+066 -14.220 128100.0 ic4h8<=>ic4h7+h 3.070e+055 -11.490 114300.0 ic4h8+h<=>c3h6+ch3 5.680e+033 -5.720 20000.0 ic4h8+h<=>ic4h7+h2 3.400e+005 2.500 2492.0 ic4h8+o=>ch2co+ch3+ch3 3.330e+007 1.760 76.0 ic4h8+o=>ic3h6co+h+h 1.660e+007 1.760 76.0 ic4h8+o<=>ic4h7+oh 1.206e+011 0.700 7633.0 ic4h8+ch3<=>ic4h7+ch4 4.420e+000 3.500 5675.0 ic4h8+ho2<=>ic4h7+h2o2 1.928e+004 2.600 13910.0 ic4h8+o2cho<=>ic4h7+ho2cho 1.928e+004 2.600 13910.0 ic4h8+o2<=>ic4h7+ho2 6.000e+012 0.000 39900.0 ic4h8+c3h5-a<=>ic4h7+c3h6 7.940e+011 0.000 20500.0 ic4h8+c3h5-s<=>ic4h7+c3h6 7.940e+011 0.000 20500.0 ic4h8+c3h5-t<=>ic4h7+c3h6 7.940e+011 0.000 20500.0 ic4h8+oh<=>ic4h7+h2o 5.200e+006 2.000 -298.0 ic4h8+o<=>ic3h7+hco 1.580e+007 1.760 -1216.0 ic4h8+ch3o2<=>ic4h7+ch3o2h 1.928e+004 2.600 13910.0 ic4h8+ho2<=>ic4h8o+oh 1.290e+012 0.000 13340.0 ic4h7+o2<=>ic3h5cho+oh 2.470e+013 -0.450 23020.0 ic4h7+o2<=>ch3coch2+ch2o 7.140e+015 -1.210 21050.0 ic4h7+o2=>c3h4-a+ch2o+oh 7.290e+029 -5.710 21450.0 ic4h7+o<=>ic3h5cho+h 6.030e+013 0.000 0.0 ic4h7<=>c3h4-a+ch3 1.230e+047 -9.740 74260.0 ch3o2+ic4h7<=>ch3o+ic4h7o 7.000e+012 0.000 -1000.0 ic4h7+ho2<=>ic4h7o+oh 7.000e+012 0.000 -1000.0 c3h5-t+ch2o<=>ic4h7o 1.000e+011 0.000 12600.0 ic4h7o<=>ic4h6oh 1.391e+011 0.000 15600.0 ic4h7o<=>ic3h5cho+h 5.000e+013 0.000 29100.0 ic4h6oh+h2<=>ic4h7oh+h 2.160e+004 2.380 18990.0 ic4h7oh+o2<=>ic4h6oh+ho2 6.000e+013 0.000 39900.0 ic4h6oh+ch2o<=>ic4h7oh+hco 6.300e+008 1.900 18190.0 ic4h6oh+ic4h8<=>ic4h7oh+ic4h7 4.700e+002 3.300 19840.0 ic4h6oh+h<=>ic4h7oh 1.000e+014 0.000 0.0 ic4h6oh+h2o2<=>ic4h7oh+ho2 7.830e+005 2.050 13580.0 c3h4-a+ch2oh<=>ic4h6oh 1.000e+011 0.000 9200.0 ic4h7o+o2<=>ic3h5cho+ho2 3.000e+010 0.000 1649.0 ic4h7o+ho2<=>ic3h5cho+h2o2 3.000e+011 0.000 0.0 ic4h7o+ch3<=>ic3h5cho+ch4 2.400e+013 0.000 0.0 ic4h7o+o<=>ic3h5cho+oh 6.000e+012 0.000 0.0 ic4h7o+oh<=>ic3h5cho+h2o 1.810e+013 0.000 0.0 ic4h7o+h<=>ic3h5cho+h2 1.990e+013 0.000 0.0 ic3h5cho+oh<=>ic3h5co+h2o 2.690e+010 0.760 -340.0 ic3h5cho+ho2<=>ic3h5co+h2o2 1.000e+012 0.000 11920.0 ic3h5cho+ch3<=>ic3h5co+ch4 3.980e+012 0.000 8700.0 ic3h5cho+o<=>ic3h5co+oh 7.180e+012 0.000 1389.0 ic3h5cho+o2<=>ic3h5co+ho2 2.000e+013 0.000 40700.0 ic3h5cho+h<=>ic3h5co+h2 2.600e+012 0.000 2600.0 ic3h5co<=>c3h5-t+co 1.278e+020 -1.890 34460.0 tc3h6ocho+oh<=>tc3h6cho+ho2 2.018e+017 -1.200 21010.0 tc3h6ocho<=>ch3coch3+hco 3.980e+013 0.000 9700.0 ic3h5cho+h<=>tc3h6cho 1.300e+013 0.000 1200.0 ic3h6co+h<=>tc3h6cho 1.300e+013 0.000 4800.0 tc3h6cho+h2<=>ic3h7cho+h 2.160e+005 2.380 18990.0 ic4h7o+oh<=>ic4h7ooh 1.000e+011 0.000 0.0 ic4h7o+h<=>ic4h7oh 4.000e+013 0.000 0.0 ic4h7oh+h<=>ic4h8oh 1.000e+013 0.000 1200.0 ic4h7o+h2<=>ic4h7oh+h 9.050e+006 2.000 17830.0 ic4h7+oh<=>ic4h7oh 3.000e+013 0.000 0.0 ic4h7oh+hco<=>ic4h7o+ch2o 3.020e+011 0.000 18160.0 tc3h6cho+ch2o<=>ic3h7cho+hco 2.520e+008 1.900 18190.0 tc3h6cho+ic4h8<=>ic3h7cho+ic4h7 4.700e+002 3.300 19840.0 ic3h6co+oh<=>ic3h7+co2 1.730e+012 0.000 -1010.0 tc3h6cho+oh<=>tc3h6ohcho 5.000e+013 0.000 0.0 tc3h6oh+hco<=>tc3h6ohcho 1.810e+013 0.000 0.0 ch3coch3+h<=>tc3h6oh 8.000e+012 0.000 9500.0 ic3h5oh+h<=>tc3h6oh 6.250e+011 0.510 4020.0 c3h5-t+oh<=>ic3h5oh 5.000e+013 0.000 0.0 tc3h6cho+o2<=>tc3h6o2cho 1.990e+017 -2.100 0.0 tc3h6o2cho<=>ic3h5o2hcho 6.000e+011 0.000 29880.0 tc3h6o2cho<=>tc3h6o2hco 1.000e+011 0.000 25750.0 ic3h5cho+ho2<=>ic3h5o2hcho 2.230e+011 0.000 10600.0 tc3h6o2hco=>ch3coch3+co+oh 4.244e+018 -1.430 4800.0 tc3h6oh+o2<=>ch3coch3+ho2 2.230e+013 0.000 0.0 ic3h6co+oh<=>tc3h6oh+co 2.000e+012 0.000 -1010.0 tc3h6cho+ho2<=>ic3h7cho+o2 3.675e+012 0.000 1310.0 tc3h6cho+ch3<=>ic3h5cho+ch4 3.010e+012 -0.320 -131.0 tc4h8cho<=>ic3h5cho+ch3 1.000e+013 0.000 26290.0 tc4h8cho<=>ic4h8+hco 8.520e+012 0.000 20090.0 tc4h8cho+o2<=>o2c4h8cho 2.000e+012 0.000 0.0 o2c4h8cho<=>o2hc4h8co 2.160e+011 0.000 15360.0 ic4h8o2h-t+co<=>o2hc4h8co 1.500e+011 0.000 4809.0 ic4h7o+ic4h8<=>ic4h7oh+ic4h7 2.700e+011 0.000 4000.0 ic4h6oh+ho2=>ch2cch2oh+ch2o+oh 1.446e+013 0.000 0.0 ic4h8+ch2cch2oh<=>ic4h7+c3h5oh 7.940e+011 0.000 20500.0 ch2cch2oh+h2o2<=>c3h5oh+ho2 3.010e+009 0.000 2583.0 c3h5oh+oh<=>ch2cch2oh+h2o 5.060e+012 0.000 5960.0 c3h5oh+h<=>ch2cch2oh+h2 3.900e+005 2.500 5821.0 c3h5oh+o2<=>ch2cch2oh+ho2 4.000e+013 0.000 60690.0 c3h5oh+ch3<=>ch2cch2oh+ch4 2.400e+011 0.000 8030.0 ch2cch2oh+ch3<=>ic4h7oh 3.000e+013 0.000 0.0 ch2cch2oh+h<=>c3h5oh 1.000e+014 0.000 0.0 ch2cch2oh+o2=>ch2oh+co+ch2o 4.335e+012 0.000 0.0 ch2cch2oh<=>c2h2+ch2oh 2.163e+040 -8.310 45110.0 c3h4-a+oh<=>ch2cch2oh 8.500e+012 0.000 2000.0 !****End AramcoMech 1.3*** ! ! nc5h12<=>c5h11-1+h 1.375e+17 -0.360 1.012e+05 rev/ 3.610e+13 0.000 0.000e+00 / nc5h12<=>c5h11-2+h 3.325e+18 -0.763 9.880e+04 rev/ 3.610e+13 0.000 0.000e+00 / nc5h12<=>c5h11-3+h 1.602e+18 -0.758 9.879e+04 rev/ 3.610e+13 0.000 0.000e+00 / nc5h12<=>ch3+pc4h9 6.101e+22 -1.862 8.943e+04 rev/ 4.000e+12 0.000 -5.960e+02 / nc5h12<=>nc3h7+c2h5 3.082e+24 -2.269 8.844e+04 rev/ 4.000e+12 0.000 -5.960e+02 / nc5h12+h<=>c5h11-1+h2 1.880e+05 2.750 6.280e+03 rev/ 1.972e+01 3.386 8.610e+03 / nc5h12+h<=>c5h11-2+h2 2.600e+06 2.400 4.471e+03 rev/ 1.128e+01 3.439 9.236e+03 / nc5h12+h<=>c5h11-3+h2 1.300e+06 2.400 4.471e+03 rev/ 1.171e+01 3.434 9.244e+03 / nc5h12 + oh<=>c5h11-1+h2o 1.054e+10 0.970 1.590e+03 rev/ 1.172e+07 1.500 1.881e+04 / nc5h12 + oh<=>c5h11-2+h2o 9.340e+07 1.610 -3.500e+01 rev/ 4.297e+03 2.543 1.962e+04 / nc5h12 + oh<=>c5h11-3+h2o 4.670e+07 1.610 -3.500e+01 rev/ 4.459e+03 2.538 1.963e+04 / nc5h12+o<=>c5h11-1 + oh 2.092e+06 2.424 4.766e+03 rev/ 1.139e+02 3.041 5.684e+03 / nc5h12+o<=>c5h11-2 + oh 1.189e+06 2.439 2.846e+03 rev/ 2.678e+00 3.459 6.199e+03 / nc5h12+o<=>c5h11-3 + oh 5.946e+05 2.439 2.846e+03 rev/ 2.779e+00 3.454 6.207e+03 / nc5h12+ch3<=>c5h11-1+ch4 9.040e-01 3.650 7.154e+03 rev/ 8.653e-02 3.840 1.102e+04 / nc5h12+ch3<=>c5h11-2+ch4 1.680e+05 2.133 7.574e+03 rev/ 6.650e+02 2.726 1.388e+04 / nc5h12+ch3<=>c5h11-3+ch4 8.400e+04 2.133 7.574e+03 rev/ 6.901e+02 2.721 1.389e+04 / nc5h12+ho2<=>c5h11-1+h2o2 4.080e+01 3.590 1.716e+04 rev/ 2.477e+00 3.531 3.490e+03 / nc5h12+ho2<=>c5h11-2+h2o2 1.264e+02 3.370 1.372e+04 rev/ 3.173e-01 3.714 2.483e+03 / nc5h12+ho2<=>c5h11-3+h2o2 6.320e+01 3.370 1.372e+04 rev/ 3.293e-01 3.709 2.491e+03 / nc5h12+ch3o2<=>c5h11-1+ch3o2h 4.080e+01 3.590 1.716e+04 rev/ 4.818e+01 3.086 1.895e+03 / nc5h12+ch3o2<=>c5h11-2+ch3o2h 1.264e+02 3.370 1.372e+04 rev/ 6.173e+00 3.269 8.880e+02 / nc5h12+ch3o2<=>c5h11-3+ch3o2h 6.320e+01 3.370 1.372e+04 rev/ 6.406e+00 3.264 8.960e+02 / nc5h12+c2h5<=>c5h11-1+c2h6 1.000e+11 0.000 1.340e+04 rev/ 3.200e+11 0.000 1.230e+04 / nc5h12+c2h5<=>c5h11-2+c2h6 1.000e+11 0.000 1.040e+04 rev/ 1.000e+11 0.000 1.290e+04 / nc5h12+c2h5<=>c5h11-3+c2h6 5.000e+10 0.000 1.040e+04 rev/ 1.000e+11 0.000 1.290e+04 / nc5h12+c2h3<=>c5h11-1+c2h4 1.000e+12 0.000 1.800e+04 rev/ 2.600e+12 0.000 2.540e+04 / nc5h12+c2h3<=>c5h11-2+c2h4 8.000e+11 0.000 1.680e+04 rev/ 2.000e+12 0.000 2.420e+04 / nc5h12+c2h3<=>c5h11-3+c2h4 4.000e+11 0.000 1.680e+04 rev/ 2.000e+12 0.000 2.420e+04 / nc5h12+c5h11-1<=>c5h11-2+nc5h12 1.000e+11 0.000 1.040e+04 rev/ 1.000e+11 0.000 1.290e+04 / nc5h12+c5h11-1<=>c5h11-3+nc5h12 5.000e+10 0.000 1.040e+04 rev/ 1.000e+11 0.000 1.290e+04 / nc5h12+c5h11-2<=>c5h11-3+nc5h12 5.000e+10 0.000 1.230e+04 rev/ 1.000e+11 0.000 1.230e+04 / nc5h12 + o2cho<=>c5h11-1+ho2cho 1.680e+13 0.000 2.044e+04 rev/ 1.368e+00 3.110 2.295e+03 / nc5h12 + o2cho<=>c5h11-2+ho2cho 1.120e+13 0.000 1.769e+04 rev/ 4.306e+03 2.130 4.147e+03 / nc5h12 + o2cho<=>c5h11-3+ho2cho 5.600e+12 0.000 1.769e+04 rev/ 4.318e+03 2.130 4.149e+03 / nc5h12+ch3o<=>c5h11-1+ch3oh 3.000e+11 0.000 7.000e+03 rev/ 1.200e+10 0.000 9.200e+03 / nc5h12+ch3o<=>c5h11-2+ch3oh 2.200e+11 0.000 5.000e+03 rev/ 9.000e+09 0.000 7.200e+03 / nc5h12+ch3o<=>c5h11-3+ch3oh 1.100e+11 0.000 5.000e+03 rev/ 9.000e+09 0.000 7.200e+03 / nc5h12 + o2<=>c5h11-1+ho2 4.200e+13 0.000 5.280e+04 rev/ 2.311e+10 0.288 4.460e+02 / nc5h12 + o2<=>c5h11-2+ho2 2.800e+13 0.000 5.016e+04 rev/ 6.370e+08 0.691 2.310e+02 / nc5h12 + o2<=>c5h11-3+ho2 1.400e+13 0.000 5.016e+04 rev/ 6.611e+08 0.686 2.390e+02 / c5h11-1<=>c2h4+nc3h7 3.205e+12 0.451 2.943e+04 rev/ 8.800e+03 2.480 6.130e+03 / c5h11-1<=>h+c5h10-1 3.354e+11 0.608 3.564e+04 rev/ 2.500e+11 0.510 2.620e+03 / c5h11-1<=>c5h11-2 3.875e+09 0.353 1.976e+04 rev/ 1.602e+08 0.756 2.220e+04 / c5h11-2<=>c3h6+c2h5 1.223e+12 0.635 2.936e+04 rev/ 8.800e+03 2.480 6.130e+03 / c5h11-2<=>c5h10-1+h 2.353e+10 1.011 3.668e+04 rev/ 4.240e+11 0.510 1.230e+03 / c5h11-2<=>c5h10-2+h 3.988e+11 0.410 3.522e+04 rev/ 2.500e+11 0.510 2.620e+03 / c5h11-3<=>c4h8-1+ch3 6.343e+10 1.119 3.046e+04 rev/ 1.760e+04 2.480 6.130e+03 / c5h11-3<=>c5h10-2+h 8.277e+11 0.405 3.523e+04 rev/ 2.500e+11 0.510 2.620e+03 / c5h10-1<=>c2h5+c3h5-a 9.864e+21 -2.086 7.506e+04 rev/ 4.000e+12 0.000 -5.960e+02 / c5h10-1+h<=>c5h91-3+h2 3.376e+05 2.360 2.070e+02 rev/ 3.096e+05 2.530 2.032e+04 / c5h10-1+h<=>c5h91-4+h2 1.300e+06 2.400 4.471e+03 rev/ 2.777e+02 3.170 1.124e+04 / c5h10-1+h<=>c5h91-5+h2 6.650e+05 2.540 6.756e+03 rev/ 2.193e+03 2.960 1.102e+04 / c5h10-1+o<=>c5h91-3 + oh 6.600e+05 2.430 1.210e+03 rev/ 2.658e+05 2.600 1.923e+04 / c5h10-1+o<=>c5h91-4 + oh 5.510e+05 2.450 2.830e+03 rev/ 5.169e+01 3.220 7.505e+03 / c5h10-1+o<=>c5h91-5 + oh 9.800e+05 2.430 4.750e+03 rev/ 1.419e+03 2.850 6.915e+03 / c5h10-1 + oh<=>c5h91-3+h2o 2.764e+04 2.640 -1.919e+03 rev/ 1.097e+05 2.810 3.335e+04 / c5h10-1 + oh<=>c5h91-4+h2o 4.670e+07 1.610 -3.500e+01 rev/ 4.319e+04 2.380 2.189e+04 / c5h10-1 + oh<=>c5h91-5+h2o 5.270e+09 0.970 1.586e+03 rev/ 7.524e+07 1.390 2.100e+04 / c5h10-1+ch3<=>c5h91-3+ch4 3.690e+00 3.310 4.002e+03 rev/ 8.840e+01 3.480 2.459e+04 / c5h10-1+ch3<=>c5h91-4+ch4 1.510e+00 3.460 5.481e+03 rev/ 8.426e-03 4.230 1.273e+04 / c5h10-1+ch3<=>c5h91-5+ch4 4.521e-01 3.650 7.154e+03 rev/ 3.895e-02 4.070 1.189e+04 / c5h10-1 + o2<=>c5h91-3+ho2 2.200e+12 0.000 3.722e+04 rev/ 3.665e+10 0.490 -1.520e+02 / c5h10-1 + o2<=>c5h91-4+ho2 2.000e+13 0.000 4.964e+04 rev/ 7.760e+07 1.090 -1.072e+03 / c5h10-1 + o2<=>c5h91-5+ho2 3.000e+13 0.000 5.229e+04 rev/ 1.797e+09 0.750 -9.320e+02 / c5h10-1+ho2<=>c5h91-3+h2o2 4.820e+03 2.550 1.053e+04 rev/ 1.136e+05 2.390 1.433e+04 / c5h10-1+ho2<=>c5h91-4+h2o2 9.640e+03 2.600 1.391e+04 rev/ 5.292e+01 3.040 4.372e+03 / c5h10-1+ho2<=>c5h91-5+h2o2 2.380e+04 2.550 1.649e+04 rev/ 2.017e+03 2.640 4.446e+03 / c5h10-1+ch3o2<=>c5h91-3+ch3o2h 4.820e+03 2.550 1.053e+04 rev/ 2.366e+05 2.210 1.131e+04 / c5h10-1+ch3o2<=>c5h91-4+ch3o2h 9.640e+03 2.600 1.391e+04 rev/ 1.102e+02 2.860 1.352e+03 / c5h10-1+ch3o2<=>c5h91-5+ch3o2h 2.380e+04 2.550 1.649e+04 rev/ 4.200e+03 2.470 1.426e+03 / c5h10-1+ch3o<=>c5h91-3+ch3oh 4.000e+01 2.900 8.609e+03 rev/ 1.769e+01 3.090 2.699e+04 / c5h10-1+ch3o<=>c5h91-4+ch3oh 1.450e+11 0.000 4.571e+03 rev/ 1.493e+07 0.790 9.611e+03 / c5h10-1+ch3o<=>c5h91-5+ch3oh 2.170e+11 0.000 6.458e+03 rev/ 3.450e+08 0.450 8.988e+03 / c5h10-2+h<=>c5h91-3+h2 1.730e+05 2.500 2.492e+03 rev/ 4.561e+06 2.060 1.975e+04 / c5h10-2+h<=>c5h92-4+h2 3.376e+05 2.360 2.070e+02 rev/ 4.361e+06 2.100 2.033e+04 / c5h10-2+h<=>c5h92-5+h2 6.651e+05 2.540 6.756e+03 rev/ 3.085e+04 2.540 1.103e+04 / c5h10-2+o<=>c5h91-3 + oh 4.410e+05 2.420 3.150e+03 rev/ 5.107e+06 1.980 1.831e+04 / c5h10-2+o<=>c5h92-4 + oh 9.900e+05 2.430 1.210e+03 rev/ 5.617e+06 2.170 1.924e+04 / c5h10-2+o<=>c5h92-5 + oh 9.800e+05 2.430 4.750e+03 rev/ 1.996e+04 2.420 6.931e+03 / c5h10-2 + oh<=>c5h91-3+h2o 3.120e+06 2.000 -2.980e+02 rev/ 3.562e+08 1.560 3.211e+04 / c5h10-2 + oh<=>c5h92-4+h2o 2.764e+04 2.640 -1.919e+03 rev/ 1.546e+06 2.380 3.336e+04 / c5h10-2 + oh<=>c5h92-5+h2o 5.270e+09 0.970 1.586e+03 rev/ 1.058e+09 0.960 2.102e+04 / c5h10-2+ch3<=>c5h91-3+ch4 2.210e+00 3.500 5.675e+03 rev/ 1.522e+03 3.060 2.341e+04 / c5h10-2+ch3<=>c5h92-4+ch4 3.690e+00 3.310 4.002e+03 rev/ 1.245e+03 3.050 2.461e+04 / c5h10-2+ch3<=>c5h92-5+ch4 4.521e-01 3.650 7.154e+03 rev/ 5.478e-01 3.640 1.191e+04 / c5h10-2 + o2<=>c5h91-3+ho2 3.300e+12 0.000 3.990e+04 rev/ 1.581e+12 -0.110 -3.260e+02 / c5h10-2 + o2<=>c5h92-4+ho2 2.200e+12 0.000 3.722e+04 rev/ 5.163e+11 0.070 -1.360e+02 / c5h10-2 + o2<=>c5h92-5+ho2 3.000e+13 0.000 5.229e+04 rev/ 2.528e+10 0.320 -9.160e+02 / c5h10-2+ho2<=>c5h91-3+h2o2 9.639e+03 2.600 1.391e+04 rev/ 6.532e+06 1.840 1.486e+04 / c5h10-2+ho2<=>c5h92-4+h2o2 4.820e+03 2.550 1.053e+04 rev/ 1.600e+06 1.960 1.435e+04 / c5h10-2+ho2<=>c5h92-5+h2o2 2.380e+04 2.550 1.649e+04 rev/ 2.837e+04 2.220 4.462e+03 / c5h10-2+ch3o2<=>c5h91-3+ch3o2h 9.639e+03 2.600 1.391e+04 rev/ 1.360e+07 1.660 1.184e+04 / c5h10-2+ch3o2<=>c5h92-4+ch3o2h 4.820e+03 2.550 1.053e+04 rev/ 3.332e+06 1.790 1.133e+04 / c5h10-2+ch3o2<=>c5h92-5+ch3o2h 2.380e+04 2.550 1.649e+04 rev/ 5.908e+04 2.040 1.442e+03 / c5h10-2+ch3o<=>c5h91-3+ch3oh 9.000e+01 2.950 1.199e+04 rev/ 1.144e+03 2.540 2.751e+04 / c5h10-2+ch3o<=>c5h92-4+ch3oh 4.000e+01 2.900 8.609e+03 rev/ 2.491e+02 2.670 2.701e+04 / c5h10-2+ch3o<=>c5h92-5+ch3oh 2.170e+11 0.000 6.458e+03 rev/ 4.853e+09 0.020 9.004e+03 / c5h91-3+ho2<=>c5h9o1-3 + oh 9.640e+12 0.000 0.000e+00 rev/ 6.088e+15 -1.070 1.572e+04 / c5h91-3+ch3o2<=>c5h9o1-3+ch3o 9.640e+12 0.000 0.000e+00 rev/ 5.946e+17 -1.650 2.048e+04 / c5h91-3+c2h5o2<=>c5h9o1-3+c2h5o 9.640e+12 0.000 0.000e+00 rev/ 3.893e+14 -0.720 1.833e+04 / c5h92-4+ho2<=>c5h9o2-4 + oh 9.640e+12 0.000 0.000e+00 rev/ 7.027e+15 -1.240 1.589e+04 / c5h92-4+ch3o2<=>c5h9o2-4+ch3o 9.640e+12 0.000 0.000e+00 rev/ 6.863e+17 -1.820 2.065e+04 / c5h92-4+c2h5o2<=>c5h9o2-4+c2h5o 9.640e+12 0.000 0.000e+00 rev/ 4.493e+14 -0.890 1.849e+04 / c5h91-3<=>c4h6+ch3 7.554e+14 -0.520 3.852e+04 rev/ 1.000e+11 0.000 7.800e+03 / c5h91-3<=>c5h81-3+h 4.733e+11 0.636 4.264e+04 rev/ 2.500e+11 0.510 2.620e+03 / c5h91-4<=>c3h6+c2h3 5.814e+11 0.170 3.585e+04 rev/ 1.000e+11 0.000 7.800e+03 / c5h91-5<=>c2h4+c3h5-a 7.157e+16 -1.420 1.775e+04 rev/ 1.000e+11 0.000 7.800e+03 / c5h92-4<=>c5h81-3+h 2.015e+15 -0.340 4.603e+04 rev/ 1.000e+13 0.000 1.200e+03 / c5h92-5<=>c2h4+c3h5-s 8.899e+16 -1.180 4.218e+04 rev/ 2.000e+11 0.000 7.800e+03 / c5h9o1-3<=>c2h3cho+c2h5 3.131e+19 -1.850 1.067e+04 rev/ 1.000e+11 0.000 9.600e+03 / c5h9o1-3<=>c2h5cho+c2h3 1.417e+18 -1.560 2.334e+04 rev/ 1.000e+11 0.000 9.600e+03 / c5h81-3 + oh<=>ch2o+c4h71-3 1.000e+12 0.000 0.000e+00 rev/ 1.000e+11 0.000 1.500e+04 / c5h81-3 + oh<=>c2h3cho+c2h5 1.000e+12 0.000 0.000e+00 rev/ 1.000e+11 0.000 1.500e+04 / c5h81-3 + oh<=>ch3cho+c3h5-s 1.000e+12 0.000 0.000e+00 rev/ 1.000e+11 0.000 1.500e+04 / c5h9o2-4<=>sc3h5cho+ch3 5.983e+15 -1.130 9.941e+03 rev/ 1.000e+11 0.000 9.600e+03 / c5h9o2-4<=>ch3cho+c3h5-s 1.073e+22 -2.660 2.965e+04 rev/ 1.000e+11 0.000 9.600e+03 / c5h10-2<=>ch3+c4h71-3 6.486e+19 -1.367 7.632e+04 rev/ 8.000e+12 0.000 -5.960e+02 / c5h11-1 + o2<=>c5h10-1+ho2 8.370e-01 3.590 1.196e+04 rev/ 1.307e+00 3.420 2.781e+04 / c5h11-2 + o2<=>c5h10-1+ho2 5.350e-01 3.710 9.322e+03 rev/ 2.021e+01 3.137 2.274e+04 / c5h11-2 + o2<=>c5h10-2+ho2 1.070e+00 3.710 9.322e+03 rev/ 1.406e+00 3.738 2.559e+04 / c5h11-3 + o2<=>c5h10-2+ho2 2.140e+00 3.710 9.322e+03 rev/ 1.355e+00 3.743 2.558e+04 / c5h11-1+ho2<=>c5h11o-1 + oh 9.000e+12 0.000 -1.000e+03 rev/ 1.944e+15 -0.479 2.621e+04 / c5h11-2+ho2<=>c5h11o-2 + oh 9.000e+12 0.000 -1.000e+03 rev/ 3.143e+17 -1.132 2.822e+04 / c5h11-3+ho2<=>c5h11o-3 + oh 9.000e+12 0.000 -1.000e+03 rev/ 3.019e+17 -1.127 2.821e+04 / c5h11-1+ch3o2<=>c5h11o-1+ch3o 9.000e+12 0.000 -1.000e+03 rev/ 1.216e+14 -0.180 3.045e+04 / c5h11-2+ch3o2<=>c5h11o-2+ch3o 9.000e+12 0.000 -1.000e+03 rev/ 1.966e+16 -0.833 3.246e+04 / c5h11-3+ch3o2<=>c5h11o-3+ch3o 9.000e+12 0.000 -1.000e+03 rev/ 1.889e+16 -0.828 3.245e+04 / c5h11o2-1+nc5h12<=>c5h11o2h-1+c5h11-1 1.210e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-2+nc5h12<=>c5h11o2h-2+c5h11-1 1.210e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-3+nc5h12<=>c5h11o2h-3+c5h11-1 1.210e+13 0.000 2.043e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-1+nc5h12<=>c5h11o2h-1+c5h11-2 8.064e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-2+nc5h12<=>c5h11o2h-2+c5h11-2 8.064e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-3+nc5h12<=>c5h11o2h-3+c5h11-2 8.064e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-1+nc5h12<=>c5h11o2h-1+c5h11-3 4.032e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-2+nc5h12<=>c5h11o2h-2+c5h11-3 4.032e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11o2-3+nc5h12<=>c5h11o2h-3+c5h11-3 4.032e+12 0.000 1.770e+04 rev/ 1.440e+10 0.000 1.500e+04 / c5h11-1+c5h11o2-1<=>c5h11o-1+c5h11o-1 9.000e+12 0.000 -1.000e+03 rev/ 5.940e+13 -0.130 2.991e+04 / c5h11-1+c5h11o2-2<=>c5h11o-1+c5h11o-2 9.000e+12 0.000 -1.000e+03 rev/ 5.285e+13 -0.116 2.960e+04 / c5h11-1+c5h11o2-3<=>c5h11o-1+c5h11o-3 9.000e+12 0.000 -1.000e+03 rev/ 1.053e+14 -0.116 2.960e+04 / c5h11-2+c5h11o2-1<=>c5h11o-2+c5h11o-1 9.000e+12 0.000 -1.000e+03 rev/ 9.604e+15 -0.783 3.192e+04 / c5h11-2+c5h11o2-2<=>c5h11o-2+c5h11o-2 9.000e+12 0.000 -1.000e+03 rev/ 8.544e+15 -0.769 3.162e+04 / c5h11-2+c5h11o2-3<=>c5h11o-2+c5h11o-3 9.000e+12 0.000 -1.000e+03 rev/ 1.703e+16 -0.769 3.162e+04 / c5h11-3+c5h11o2-1<=>c5h11o-3+c5h11o-1 9.000e+12 0.000 -1.000e+03 rev/ 9.225e+15 -0.778 3.192e+04 / c5h11-3+c5h11o2-2<=>c5h11o-3+c5h11o-2 9.000e+12 0.000 -1.000e+03 rev/ 8.206e+15 -0.764 3.161e+04 / c5h11-3+c5h11o2-3<=>c5h11o-3+c5h11o-3 9.000e+12 0.000 -1.000e+03 rev/ 1.636e+16 -0.764 3.161e+04 / c5h11o2-1+c5h11o2-2<=>o2+c5h11o-1+c5h11o-2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-1+c5h11o2-3<=>o2+c5h11o-1+c5h11o-3 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-1+ch3o2<=>o2+c5h11o-1+ch3o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-1+c5h11o2-1<=>o2+c5h11o-1+c5h11o-1 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / h2o2+c5h11o2-1<=>ho2+c5h11o2h-1 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / c5h11o2-1+ho2<=>c5h11o2h-1 + o2 1.750e+10 0.000 -3.275e+03 rev/ 3.746e+13 -0.791 3.362e+04 / c5h11o2-2+ch3o2<=>o2+c5h11o-2+ch3o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-2+c5h11o2-3<=>c5h11o-2+c5h11o-3 + o2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-2+c5h11o2-2<=>o2+c5h11o-2+c5h11o-2 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / h2o2+c5h11o2-2<=>ho2+c5h11o2h-2 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / c5h11o2-2+ho2<=>c5h11o2h-2 + o2 1.750e+10 0.000 -3.275e+03 rev/ 4.380e+13 -0.812 3.364e+04 / c5h11o2-3+ch3o2<=>o2+c5h11o-3+ch3o 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h11o2-3+c5h11o2-3<=>o2+c5h11o-3+c5h11o-3 1.400e+16 -1.610 1.860e+03 rev/ 0.000e+00 0.000 0.000e+00 / h2o2+c5h11o2-3<=>ho2+c5h11o2h-3 2.400e+12 0.000 1.000e+04 rev/ 2.400e+12 0.000 1.000e+04 / c5h11o2-3+ho2<=>c5h11o2h-3 + o2 1.750e+10 0.000 -3.275e+03 rev/ 4.380e+13 -0.812 3.364e+04 / c5h11o2h-1<=>c5h11o-1 + oh 1.500e+16 0.000 4.250e+04 rev/ 2.927e+07 1.932 -3.022e+03 / c5h11o2h-2<=>c5h11o-2 + oh 9.450e+15 0.000 4.160e+04 rev/ 1.403e+07 1.968 -4.252e+03 / c5h11o2h-3<=>c5h11o-3 + oh 9.450e+15 0.000 4.160e+04 rev/ 2.797e+07 1.968 -4.252e+03 / c5h11o-1<=>ch2o+pc4h9 5.661e+20 -2.247 2.496e+04 rev/ 6.250e+10 0.000 1.190e+04 / c5h11o-2<=>ch3cho+nc3h7 1.689e+22 -2.601 1.955e+04 rev/ 7.500e+10 0.000 1.190e+04 / c5h11o-3<=>c2h5+c2h5cho 1.239e+18 -1.199 1.859e+04 rev/ 8.500e+10 0.000 1.190e+04 / c5h11o2-1<=>c5h11-1 + o2 2.338e+20 -1.620 3.583e+04 rev/ 4.520e+12 0.000 0.000e+00 / c5h11o2-2<=>c5h11-2 + o2 7.087e+22 -2.287 3.815e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h11o2-3<=>c5h11-3 + o2 3.415e+22 -2.282 3.815e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h11o2-1<=>c5h10ooh1-2 2.000e+11 0.000 2.685e+04 rev/ 2.083e+10 -0.106 1.385e+04 / c5h11o2-1<=>c5h10ooh1-3 2.500e+10 0.000 2.085e+04 rev/ 2.604e+09 -0.106 7.850e+03 / c5h11o2-1<=>c5h10ooh1-4 3.125e+09 0.000 1.865E+04 rev/ 3.255e+08 -0.106 6.050e+03 / c5h11o2-1<=>c5h10ooh1-5 5.860e+08 0.000 2.515E+04 rev/ 1.379e+09 -0.503 1.009e+04 / c5h11o2-2<=>c5h10ooh2-1 3.000e+11 0.000 2.940e+04 rev/ 7.790e+11 -0.517 1.396e+04 / c5h11o2-2<=>c5h10ooh2-3 2.000e+11 0.000 2.685e+04 rev/ 2.698e+10 -0.140 1.390e+04 / c5h11o2-2<=>c5h10ooh2-4 2.500e+10 0.000 2.085e+04 rev/ 3.372e+09 -0.140 7.900e+03 / c5h11o2-2<=>c5h10ooh2-5 4.688e+09 0.000 2.195E+04 rev/ 1.217e+10 -0.517 6.910e+03 / c5h11o2-3<=>c5h10ooh3-1 7.500e+10 0.000 2.400E+04 rev/ 1.948e+11 -0.517 8.960e+03 / c5h11o2-3<=>c5h10ooh3-2 4.000e+11 0.000 2.685e+04 rev/ 5.396e+10 -0.140 1.390e+04 / c5h11o2-1<=>c5h10-1+ho2 5.044e+38 -8.110 4.049e+04 rev/ 1.523e+31 -6.660 2.051e+04 / c5h11o2-2<=>c5h10-1+ho2 5.075e+42 -9.410 4.149e+04 rev/ 2.039e+34 -7.696 1.675e+04 / c5h11o2-2<=>c5h10-2+ho2 5.044e+38 -8.110 4.049e+04 rev/ 7.050e+28 -5.795 1.860e+04 / c5h11o2-3<=>c5h10-2+ho2 1.009e+39 -8.110 4.049e+04 rev/ 1.410e+29 -5.795 1.860e+04 / c5h10ooh1-2<=>c5h10o1-2 + oh 6.000e+11 0.000 2.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh1-3<=>c5h10o1-3 + oh 7.500e+10 0.000 1.525e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh1-4<=>c5h10o1-4 + oh 9.375e+09 0.000 6.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh1-5<=>c5h10o1-5 + oh 1.172e+09 0.000 1.800e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh2-1<=>c5h10o1-2 + oh 6.000e+11 0.000 2.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh2-3<=>c5h10o2-3 + oh 6.000e+11 0.000 2.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh2-4<=>c5h10o2-4 + oh 7.500e+10 0.000 1.525e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh2-5<=>c5h10o1-4 + oh 9.375e+09 0.000 6.000e+03 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh3-2<=>c5h10o2-3 + oh 6.000e+11 0.000 2.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh3-1<=>c5h10o1-3 + oh 7.500e+10 0.000 1.525e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-2 + oh<=>ch2co+nc3h7+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-3 + oh<=>c2h4+c2h5co+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-4 + oh<=>ch3coch2+c2h4+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-5 + oh<=>ch2ch2cho+c2h4+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-3 + oh<=>ch3chco+c2h5+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-4 + oh<=>ch3co+c3h6+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-2 + oh<=>c2h3cho+c2h5+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-3 + oh<=>hco+c4h8-1+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-4 + oh<=>ch2cho+c3h6+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-5 + oh<=>ch2o+c4h71-3+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-3 + oh<=>c2h3coch3+ch3+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-4 + oh<=>ch3cho+c3h5-s+h2o 2.500e+12 0.000 0.000e+00 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-2+ho2<=>ch2co+nc3h7+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-3+ho2<=>c2h4+c2h5co+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-4+ho2<=>ch3coch2+c2h4+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-5+ho2<=>ch2ch2cho+c2h4+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-3+ho2<=>ch3chco+c2h5+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-4+ho2<=>ch3co+c3h6+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-2+ho2<=>c2h3cho+c2h5+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-3+ho2<=>hco+c4h8-1+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-4+ho2<=>ch2cho+c3h6+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o1-5+ho2<=>ch2o+c4h71-3+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-3+ho2<=>c2h3coch3+ch3+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10o2-4+ho2<=>ch3cho+c3h5-s+h2o2 5.000e+12 0.000 1.770e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh1-2<=>c5h10-1+ho2 3.449e+17 -1.556 1.798e+04 rev/ 1.000e+11 0.000 1.100e+04 / c5h10ooh2-1<=>c5h10-1+ho2 6.462e+19 -2.231 2.105e+04 rev/ 1.000e+11 0.000 1.175e+04 / c5h10ooh2-3<=>c5h10-2+ho2 9.651e+19 -2.455 2.068e+04 rev/ 1.000e+11 0.000 1.175e+04 / c5h10ooh3-2<=>c5h10-2+ho2 9.651e+19 -2.455 2.068e+04 rev/ 1.000e+11 0.000 1.175e+04 / c5h10ooh1-3<=>oh+ch2o+c4h8-1 8.283e+13 -0.170 3.009e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh2-4<=>oh+ch3cho+c3h6 8.312e+17 -1.400 2.717e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh3-1<=>oh+c2h5cho+c2h4 3.096e+18 -1.730 2.682e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10ooh1-2o2<=>c5h10ooh1-2 + o2 8.039e+22 -2.295 3.797e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh1-3o2<=>c5h10ooh1-3 + o2 8.039e+22 -2.295 3.797e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh1-4o2<=>c5h10ooh1-4 + o2 8.039e+22 -2.295 3.797e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh1-5o2<=>c5h10ooh1-5 + o2 2.777e+20 -1.623 3.569e+04 rev/ 4.520e+12 0.000 0.000e+00 / c5h10ooh2-1o2<=>c5h10ooh2-1 + o2 2.572e+20 -1.620 3.565e+04 rev/ 4.520e+12 0.000 0.000e+00 / c5h10ooh2-3o2<=>c5h10ooh2-3 + o2 7.251e+22 -2.290 3.791e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh2-4o2<=>c5h10ooh2-4 + o2 7.251e+22 -2.290 3.791e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh2-5o2<=>c5h10ooh2-5 + o2 2.572e+20 -1.620 3.565e+04 rev/ 4.520e+12 0.000 0.000e+00 / c5h10ooh3-1o2<=>c5h10ooh3-1 + o2 2.572e+20 -1.620 3.565e+04 rev/ 4.520e+12 0.000 0.000e+00 / c5h10ooh3-2o2<=>c5h10ooh3-2 + o2 7.251e+22 -2.290 3.791e+04 rev/ 7.540e+12 0.000 0.000e+00 / c5h10ooh1-2o2<=>nc5ket12 + oh 2.000e+11 0.000 2.600E+04 rev/ 2.780e+04 1.354 4.895e+04 / c5h10ooh1-3o2<=>nc5ket13 + oh 2.500e+10 0.000 2.100E+04 rev/ 1.109e+03 1.533 4.474e+04 / c5h10ooh1-4o2<=>nc5ket14 + oh 3.125e+09 0.000 1.895E+04 rev/ 1.386e+02 1.533 4.269e+04 / c5h10ooh1-5o2<=>nc5ket15 + oh 3.907e+08 0.000 2.215E+04 rev/ 2.011e+01 1.504 4.588e+04 / c5h10ooh2-1o2<=>nc5ket21 + oh 1.000e+11 0.000 2.345E+04 rev/ 2.785e+02 1.883 5.005e+04 / c5h10ooh2-3o2<=>nc5ket23 + oh 1.000e+11 0.000 2.345E+04 rev/ 1.346e+03 1.773 4.912e+04 / c5h10ooh2-4o2<=>nc5ket24 + oh 1.250e+10 0.000 1.745E+04 rev/ 5.624e+01 1.946 4.391e+04 / c5h10ooh2-5o2<=>nc5ket25 + oh 1.563e+09 0.000 1.565E+04 rev/ 9.716e+00 1.893 4.212e+04 / c5h10ooh3-1o2<=>nc5ket31 + oh 1.250e+10 0.000 1.745E+04 rev/ 6.548e+01 1.882 4.422e+04 / c5h10ooh3-2o2<=>nc5ket32 + oh 1.000e+11 0.000 2.345E+04 rev/ 9.884e+02 1.781 4.939e+04 / nc5ket12<=>nc3h7cho+hco + oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket13<=>c2h5cho+ch2cho + oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket14<=>ch3cho+ch2ch2cho + oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket15<=>ch2o+c3h6cho-1 + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket21<=>ch2o+nc3h7co + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket23<=>c2h5cho+ch3co + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket24<=>ch3cho+ch3coch2 + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket25<=>ch2o+ch2ch2coch3 + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket31<=>ch2o+c2h5coch2 + oh 1.500e+16 0.000 4.200e+04 rev/ 0.000e+00 0.000 0.000e+00 / nc5ket32<=>ch3cho+c2h5co + oh 1.050e+16 0.000 4.160e+04 rev/ 0.000e+00 0.000 0.000e+00 / c5h10oh-1<=>c5h10-1 + oh 1.500e+13 0.000 2.583e+04 rev/ 4.750e+12 0.000 -7.820e+02 / c5h10oh-2<=>c5h10-2 + oh 1.500e+13 0.000 2.583e+04 rev/ 4.750e+12 0.000 -7.820e+02 / o2c5h10oh-1<=>c5h10oh-1 + o2 1.058e+21 -1.840 3.775e+04 rev/ 2.000e+12 0.000 0.000e+00 / o2c5h10oh-1<=>nc3h7cho+ch2o + oh 2.500e+10 0.000 1.886e+04 rev/ 0.000e+00 0.000 0.000e+00 / o2c5h10oh-2<=>c5h10oh-2 + o2 3.385e+21 -2.010 3.787e+04 rev/ 2.000e+12 0.000 0.000e+00 / o2c5h10oh-2<=>c2h5cho+ch3cho + oh 2.500e+10 0.000 1.886e+04 rev/ 0.000e+00 0.000 0.000e+00 / ! ! ! nc6h14<=>c5h11-1+ch3 1.608e+22 -1.61 8.935e+04 rev/ 4.000e+12 0.00 -5.960e+02 / nc6h14<=>nc3h7+nc3h7 2.169e+24 -2.19 8.784e+04 rev/ 4.000e+12 0.00 -5.960e+02 / nc6h14<=>pc4h9+c2h5 1.617e+24 -2.21 8.858e+04 rev/ 4.000e+12 0.00 -5.960e+02 / nc6h14<=>c6h13-1+h 1.356e+17 -0.36 1.012e+05 rev/ 3.610e+13 0.00 0.000e+00 / nc6h14<=>c6h13-2+h 2.088e+18 -0.70 9.871e+04 rev/ 3.610e+13 0.00 0.000e+00 / nc6h14<=>c6h13-3+h 2.088e+18 -0.70 9.871e+04 rev/ 3.610e+13 0.00 0.000e+00 / nc6h14+h<=>c6h13-1+h2 1.880e+05 2.75 6.280e+03 rev/ 1.998e+01 3.38 8.615e+03 / nc6h14+h<=>c6h13-2+h2 2.600e+06 2.40 4.471e+03 rev/ 1.795e+01 3.38 9.318e+03 / nc6h14+h<=>c6h13-3+h2 2.600e+06 2.40 4.471e+03 rev/ 1.795e+01 3.38 9.318e+03 / nc6h14+o<=>c6h13-1 + oh 2.092e+06 2.42 4.766e+03 rev/ 1.167e+02 3.04 5.689e+03 / nc6h14+o<=>c6h13-2 + oh 1.189e+06 2.44 2.846e+03 rev/ 4.308e+00 3.40 6.281e+03 / nc6h14+o<=>c6h13-3 + oh 1.189e+06 2.44 2.846e+03 rev/ 4.308e+00 3.40 6.281e+03 / nc6h14 + oh<=>c6h13-1+h2o 1.056E+10 0.97 1.590E+03 rev/ 2.906e+04 2.33 1.818e+04 / nc6h14 + oh<=>c6h13-2+h2o 9.400E+07 1.61 -3.500E+01 rev/ 3.599e+02 2.87 1.914e+04 / nc6h14 + oh<=>c6h13-3+h2o 9.400E+07 1.61 -3.500E+01 rev/ 3.599e+02 2.87 1.914e+04 / nc6h14+ch3<=>c6h13-1+ch4 9.040e-01 3.65 7.154e+03 rev/ 8.770e-02 3.84 1.103e+04 / nc6h14+ch3<=>c6h13-3+ch4 1.680e+05 2.13 7.574e+03 rev/ 1.058e+03 2.67 1.396e+04 / nc6h14+ch3<=>c6h13-2+ch4 1.680e+05 2.13 7.574e+03 rev/ 1.058e+03 2.67 1.396e+04 / nc6h14+ho2<=>c6h13-1+h2o2 8.100e+04 2.50 1.669e+04 rev/ 4.983e+03 2.44 3.025e+03 / nc6h14+ho2<=>c6h13-2+h2o2 1.176e+05 2.50 1.486e+04 rev/ 4.699e+02 2.78 3.709e+03 / nc6h14+ho2<=>c6h13-3+h2o2 1.176e+05 2.50 1.486e+04 rev/ 4.699e+02 2.78 3.709e+03 / nc6h14+ch3o<=>c6h13-1+ch3oh 3.160e+11 0.00 7.000e+03 rev/ 1.200e+10 0.00 9.200e+03 / nc6h14+ch3o<=>c6h13-2+ch3oh 2.190e+11 0.00 5.000e+03 rev/ 8.910e+09 0.00 7.200e+03 / nc6h14+ch3o<=>c6h13-3+ch3oh 2.190e+11 0.00 5.000e+03 rev/ 8.910e+09 0.00 7.200e+03 / nc6h14 + o2<=>c6h13-1+ho2 4.200e+13 0.00 5.280e+04 rev/ 2.342e+10 0.29 4.510e+02 / nc6h14 + o2<=>c6h13-2+ho2 2.800e+13 0.00 5.016e+04 rev/ 1.014e+09 0.63 3.130e+02 / nc6h14 + o2<=>c6h13-3+ho2 2.800e+13 0.00 5.016e+04 rev/ 1.014e+09 0.63 3.130e+02 / nc6h14+c2h5<=>c6h13-1+c2h6 1.000e+11 0.00 1.340e+04 rev/ 3.240e+11 0.00 1.230e+04 / nc6h14+c2h5<=>c6h13-2+c2h6 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc6h14+c2h5<=>c6h13-3+c2h6 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc6h14+c2h3<=>c6h13-1+c2h4 1.000e+12 0.00 1.800e+04 rev/ 2.570e+12 0.00 2.540e+04 / nc6h14+c2h3<=>c6h13-2+c2h4 8.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / nc6h14+c2h3<=>c6h13-3+c2h4 8.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / nc6h14+ch3o2<=>c6h13-1+ch3o2h 8.100e+04 2.50 1.669e+04 rev/ 9.695e+04 2.00 1.430e+03 / nc6h14+ch3o2<=>c6h13-2+ch3o2h 1.176e+05 2.50 1.486e+04 rev/ 9.141e+03 2.34 2.114e+03 / nc6h14+ch3o2<=>c6h13-3+ch3o2h 1.176e+05 2.50 1.486e+04 rev/ 9.141e+03 2.34 2.114e+03 / nc6h14 + o2cho<=>c6h13-1+ho2cho 1.680e+13 0.00 2.044e+04 rev/ 5.692e+02 2.30 3.060e+03 / nc6h14 + o2cho<=>c6h13-2+ho2cho 1.120e+13 0.00 1.769e+04 rev/ 2.464e+01 2.64 2.823e+03 / nc6h14 + o2cho<=>c6h13-3+ho2cho 1.120e+13 0.00 1.769e+04 rev/ 2.464e+01 2.64 2.823e+03 / c6h13o2-1+nc6h14<=>c6h13o2h-1+c6h13-1 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-2+nc6h14<=>c6h13o2h-2+c6h13-1 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-3+nc6h14<=>c6h13o2h-3+c6h13-1 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-1+nc6h14<=>c6h13o2h-1+c6h13-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-2+nc6h14<=>c6h13o2h-2+c6h13-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-3+nc6h14<=>c6h13o2h-3+c6h13-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-1+nc6h14<=>c6h13o2h-1+c6h13-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-2+nc6h14<=>c6h13o2h-2+c6h13-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / c6h13o2-3+nc6h14<=>c6h13o2h-3+c6h13-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc6h14+c6h13-1<=>nc6h14+c6h13-2 1.000e+11 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc6h14+c6h13-1<=>nc6h14+c6h13-3 1.000e+11 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc6h14+c6h13-2<=>nc6h14+c6h13-3 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.040e+04 / c6h13-1+ho2<=>c6h13o-1 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.266e+15 -0.56 2.615e+04 / c6h13-2+ho2<=>c6h13o-2 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.073e+17 -1.15 2.807e+04 / c6h13-3+ho2<=>c6h13o-3 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.073e+17 -1.15 2.807e+04 / c6h13-1+ch3o2<=>c6h13o-1+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 2.043e+14 -0.26 3.039e+04 / c6h13-2+ch3o2<=>c6h13o-2+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.922e+16 -0.85 3.231e+04 / c6h13-3+ch3o2<=>c6h13o-3+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.922e+16 -0.85 3.231e+04 / c6h13-1 + o2<=>c6h12-1+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / c6h13-2 + o2<=>c6h12-1+ho2 4.500e-19 0.00 5.020e+03 rev/ 2.000e-19 0.00 1.750e+04 / c6h13-2 + o2<=>c6h12-2+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / c6h13-3 + o2<=>c6h12-2+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / c6h13-3 + o2<=>c6h12-3+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / c6h13-1<=>c2h4+pc4h9 6.391e+19 -1.97 3.064e+04 rev/ 3.300e+11 0.00 7.200e+03 / c6h13-1<=>c6h12-1+h 9.621e+13 -0.26 3.600e+04 rev/ 1.000e+13 0.00 2.900e+03 / c6h13-2<=>c3h6+nc3h7 1.827e+19 -1.80 3.017e+04 rev/ 1.500e+11 0.00 7.200e+03 / c6h13-2<=>c6h12-1+h 6.248e+12 0.09 3.682e+04 rev/ 1.000e+13 0.00 1.200e+03 / c6h13-2<=>c6h12-2+h 1.271e+13 -0.09 3.565e+04 rev/ 1.000e+13 0.00 2.900e+03 / c6h13-3<=>c4h8-1+c2h5 1.202e+19 -1.76 3.045e+04 rev/ 1.500e+11 0.00 7.200e+03 / c6h13-3<=>c5h10-1+ch3 1.671e+16 -0.93 3.148e+04 rev/ 1.500e+11 0.00 7.200e+03 / c6h13-3<=>c6h12-2+h 1.271e+13 -0.09 3.565e+04 rev/ 1.000e+13 0.00 2.900e+03 / c6h13-3<=>c6h12-3+h 4.659e+12 -0.02 3.574e+04 rev/ 1.000e+13 0.00 2.900e+03 / c6h13-1<=>c6h13-2 5.478e+08 1.62 3.876e+04 rev/ 3.558e+07 1.97 4.127e+04 / c6h13-1<=>c6h13-3 1.495e+09 0.97 3.376e+04 rev/ 9.709e+07 1.31 3.627e+04 / c6h12-1<=>nc3h7+c3h5-a 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / c6h12-2<=>c2h5+c4h71-3 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / c6h12-3<=>ch3+c5h91-3 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / c6h12-1 + oh<=>c5h11-1+ch2o 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12-2 + oh<=>pc4h9+ch3cho 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12-3 + oh<=>pc4h9+ch3cho 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12-1+o<=>c5h11-1+hco 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12-2+o<=>pc4h9+ch3co 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12-1+h<=>c6h111-3+h2 3.376e+05 2.36 2.070e+02 rev/ 4.378e+06 2.10 2.033e+04 / c6h12-1+h<=>c6h111-4+h2 1.300e+06 2.40 4.471e+03 rev/ 3.896e+03 2.74 1.125e+04 / c6h12-1+h<=>c6h111-5+h2 1.300e+06 2.40 4.471e+03 rev/ 3.896e+03 2.74 1.125e+04 / c6h12-1+h<=>c6h111-6+h2 6.650e+05 2.54 6.756e+03 rev/ 3.120e+04 2.54 1.103e+04 / c6h12-1 + oh<=>c6h111-3+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.552e+06 2.38 3.336e+04 / c6h12-1 + oh<=>c6h111-4+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.060e+05 1.95 2.190e+04 / c6h12-1 + oh<=>c6h111-5+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.060e+05 1.95 2.190e+04 / c6h12-1 + oh<=>c6h111-6+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.071e+09 0.97 2.101e+04 / c6h12-1+ch3<=>c6h111-3+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.250e+03 3.05 2.460e+04 / c6h12-1+ch3<=>c6h111-4+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.182e-01 3.80 1.274e+04 / c6h12-1+ch3<=>c6h111-5+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.182e-01 3.80 1.274e+04 / c6h12-1+ch3<=>c6h111-6+ch4 4.521e-01 3.65 7.154e+03 rev/ 5.541e-01 3.65 1.190e+04 / ! ! ! c6h12-1+ho2<=>c6h111-3+h2o2 9.640e+03 2.55 1.053e+04 !!!!4.820e+03 2.55 1.053e+04 mm !!rev/ 1.606e+06 1.96 1.434e+04 / c6h12-1+ho2<=>c6h111-4+h2o2 9.640e+03 2.60 1.391e+04 !!rev/ 7.425e+02 2.61 4.382e+03 / c6h12-1+ho2<=>c6h111-5+h2o2 9.640e+03 2.60 1.391e+04 !!rev/ 7.425e+02 2.61 4.382e+03 / c6h12-1+ho2<=>c6h111-6+h2o2 2.380e+04 2.55 1.649e+04 !!rev/ 2.870e+04 2.22 4.456e+03 / ! ! c6h12-1+ch3o2<=>c6h111-3+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.345e+06 1.79 1.132e+04 / c6h12-1+ch3o2<=>c6h111-4+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.546e+03 2.44 1.362e+03 / c6h12-1+ch3o2<=>c6h111-5+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.546e+03 2.44 1.362e+03 / c6h12-1+ch3o2<=>c6h111-6+ch3o2h 2.380e+04 2.55 1.649e+04 rev/ 5.976e+04 2.04 1.436e+03 / c6h12-1+ch3o<=>c6h111-3+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.501e+02 2.67 2.700e+04 / c6h12-1+ch3o<=>c6h111-4+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.095e+08 0.37 9.621e+03 / c6h12-1+ch3o<=>c6h111-5+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.095e+08 0.37 9.621e+03 / c6h12-1+ch3o<=>c6h111-6+ch3oh 2.170e+11 0.00 6.458e+03 rev/ 4.908e+09 0.02 8.998e+03 / c6h12-2+h<=>c6h111-3+h2 1.730e+05 2.50 2.492e+03 rev/ 4.563e+06 2.06 1.974e+04 / c6h12-2+h<=>c6h112-4+h2 3.376e+05 2.36 2.070e+02 rev/ 4.384e+06 2.10 2.033e+04 / c6h12-2+h<=>c6h112-5+h2 1.300e+06 2.40 4.471e+03 rev/ 3.921e+03 2.74 1.125e+04 / c6h12-2+h<=>c6h112-6+h2 6.651e+05 2.54 6.756e+03 rev/ 3.122e+04 2.53 1.103e+04 / c6h12-2 + oh<=>c6h111-3+h2o 3.120e+06 2.00 -2.980e+02 rev/ 3.563e+08 1.56 3.211e+04 / c6h12-2 + oh<=>c6h112-4+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.554e+06 2.38 3.336e+04 / c6h12-2 + oh<=>c6h112-5+h2o 4.670e+05 1.61 -3.500e+01 rev/ 6.099e+03 1.95 2.190e+04 / c6h12-2 + oh<=>c6h112-6+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.071e+09 0.96 2.101e+04 / c6h12-2+ch3<=>c6h111-3+ch4 2.210e+00 3.50 5.675e+03 rev/ 1.523e+03 3.06 2.341e+04 / c6h12-2+ch3<=>c6h112-4+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.252e+03 3.05 2.460e+04 / c6h12-2+ch3<=>c6h112-5+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.190e-01 3.80 1.274e+04 / c6h12-2+ch3<=>c6h112-6+ch4 4.521e-01 3.65 7.154e+03 rev/ 5.543e-01 3.64 1.190e+04 / c6h12-2+ho2<=>c6h111-3+h2o2 9.639e+03 2.60 1.391e+04 rev/ 6.534e+06 1.84 1.485e+04 / c6h12-2+ho2<=>c6h112-4+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.609e+06 1.96 1.434e+04 / c6h12-2+ho2<=>c6h112-5+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.473e+02 2.61 4.382e+03 / c6h12-2+ho2<=>c6h112-6+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.871e+04 2.22 4.456e+03 / c6h12-2+ch3o2<=>c6h111-3+ch3o2h 9.639e+03 2.60 1.391e+04 rev/ 1.361e+07 1.66 1.183e+04 / c6h12-2+ch3o2<=>c6h112-4+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.350e+06 1.79 1.132e+04 / c6h12-2+ch3o2<=>c6h112-5+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.556e+03 2.44 1.362e+03 / c6h12-2+ch3o2<=>c6h112-6+ch3o2h 2.380e+04 2.55 1.649e+04 rev/ 5.978e+04 2.04 1.436e+03 / c6h12-2+ch3o<=>c6h111-3+ch3oh 9.000e+01 2.95 1.199e+04 rev/ 1.144e+03 2.54 2.751e+04 / c6h12-2+ch3o<=>c6h112-4+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.504e+02 2.66 2.700e+04 / c6h12-2+ch3o<=>c6h112-5+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.109e+08 0.37 9.621e+03 / c6h12-2+ch3o<=>c6h112-6+ch3oh 2.170e+11 0.00 6.458e+03 rev/ 4.910e+09 0.02 8.998e+03 / c6h12-3+h<=>c6h113-1+h2 1.330e+06 2.54 6.756e+03 rev/ 3.078e+04 2.54 1.103e+04 / c6h12-3+h<=>c6h112-4+h2 6.752e+05 2.36 2.070e+02 rev/ 3.215e+06 2.17 2.042e+04 / c6h12-3 + oh<=>c6h113-1+h2o 1.054e+10 0.97 1.586e+03 rev/ 1.056e+09 0.97 2.101e+04 / c6h12-3 + oh<=>c6h112-4+h2o 5.528e+04 2.64 -1.919e+03 rev/ 1.140e+06 2.45 3.345e+04 / c6h12-3+ch3<=>c6h113-1+ch4 9.042e-01 3.65 7.154e+03 rev/ 5.467e-01 3.65 1.190e+04 / c6h12-3+ch3<=>c6h112-4+ch4 7.380e+00 3.31 4.002e+03 rev/ 9.179e+02 3.12 2.469e+04 / c6h12-3+ho2<=>c6h113-1+h2o2 4.760e+04 2.55 1.649e+04 rev/ 2.832e+04 2.22 4.456e+03 / c6h12-3+ho2<=>c6h112-4+h2o2 9.640e+03 2.55 1.053e+04 rev/ 1.180e+06 2.03 1.443e+04 / c6h12-3+ch3o2<=>c6h113-1+ch3o2h 4.760e+04 2.55 1.649e+04 rev/ 5.896e+04 2.04 1.436e+03 / c6h12-3+ch3o2<=>c6h112-4+ch3o2h 9.640e+03 2.55 1.053e+04 rev/ 2.456e+06 1.85 1.141e+04 / c6h12-3+ch3o<=>c6h113-1+ch3oh 4.340e+11 0.00 6.458e+03 rev/ 4.843e+09 0.02 8.998e+03 / c6h12-3+ch3o<=>c6h112-4+ch3oh 8.000e+01 2.90 8.609e+03 rev/ 1.836e+02 2.73 2.709e+04 / c6h111-3+ho2<=>c6h11o1-3 + oh 9.640e+12 0.00 0.000e+00 rev/ 1.070e+16 -1.14 1.580e+04 / c6h111-3+ch3o2<=>c6h11o1-3+ch3o 9.640e+12 0.00 0.000e+00 rev/ 1.045e+18 -1.72 2.057e+04 / c6h111-3+c2h5o2<=>c6h11o1-3+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 6.844e+14 -0.80 1.841e+04 / c6h111-6<=>c6h111-3 1.113e+12 0.00 3.170e+04 rev/ 3.076e+14 -0.25 4.755e+04 / c6h112-4+ho2<=>c6h11o2-4 + oh 9.640e+12 0.00 0.000e+00 rev/ 9.704e+15 -1.13 1.579e+04 / c6h112-4+ch3o2<=>c6h11o2-4+ch3o 9.640e+12 0.00 0.000e+00 rev/ 9.478e+17 -1.71 2.056e+04 / c6h112-4+c2h5o2<=>c6h11o2-4+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 6.204e+14 -0.78 1.840e+04 / c6h11o1-3<=>c2h3cho+nc3h7 1.427e+20 -2.04 1.123e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o1-3<=>nc3h7cho+c2h3 2.400e+18 -1.63 2.341e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o2-4<=>sc3h5cho+c2h5 5.449e+19 -1.92 1.076e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o2-4<=>c2h5cho+c3h5-s 2.346e+22 -2.58 2.931e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h13o2-1<=>c6h13-1 + o2 5.150e+20 -1.71 3.579e+04 rev/ 4.520e+12 0.00 0.000e+00 / c6h13o2-2<=>c6h13-2 + o2 2.180e+23 -2.33 3.804e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h13o2-3<=>c6h13-3 + o2 2.180e+23 -2.33 3.804e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h13-1+c6h13o2-1<=>c6h13o-1+c6h13o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.781e+13 -0.21 2.984e+04 / c6h13-1+c6h13o2-2<=>c6h13o-1+c6h13o-2 7.000e+12 0.00 -1.000e+03 rev/ 3.628e+13 -0.17 2.950e+04 / c6h13-1+c6h13o2-3<=>c6h13o-1+c6h13o-3 7.000e+12 0.00 -1.000e+03 rev/ 3.628e+13 -0.17 2.950e+04 / c6h13-2+c6h13o2-1<=>c6h13o-2+c6h13o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.205e+15 -0.79 3.176e+04 / c6h13-2+c6h13o2-2<=>c6h13o-2+c6h13o-2 7.000e+12 0.00 -1.000e+03 rev/ 3.414e+15 -0.76 3.142e+04 / c6h13-2+c6h13o2-3<=>c6h13o-2+c6h13o-3 7.000e+12 0.00 -1.000e+03 rev/ 3.414e+15 -0.76 3.142e+04 / c6h13-3+c6h13o2-1<=>c6h13o-3+c6h13o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.205e+15 -0.79 3.176e+04 / c6h13-3+c6h13o2-2<=>c6h13o-3+c6h13o-2 7.000e+12 0.00 -1.000e+03 rev/ 3.414e+15 -0.76 3.142e+04 / c6h13-3+c6h13o2-3<=>c6h13o-3+c6h13o-3 7.000e+12 0.00 -1.000e+03 rev/ 3.414e+15 -0.76 3.142e+04 / c6h13o2-1<=>c6h12-1+ho2 5.044e+38 -8.11 4.049e+04 rev/ 9.638e+29 -6.22 2.047e+04 / c6h13o2-2<=>c6h12-1+ho2 5.075e+42 -9.41 4.149e+04 rev/ 5.885e+32 -7.24 1.670e+04 / c6h13o2-2<=>c6h12-2+ho2 5.044e+38 -8.11 4.049e+04 rev/ 2.876e+28 -5.77 1.857e+04 / c6h13o2-3<=>c6h12-3+ho2 1.009e+39 -8.11 4.049e+04 rev/ 1.569e+29 -5.83 1.848e+04 / c6h13o2-1<=>c6h12ooh1-2 2.000e+11 0.00 2.685e+04 rev/ 2.402e+10 -0.12 1.386e+04 / c6h13o2-1<=>c6h12ooh1-3 2.500e+10 0.00 2.085e+04 rev/ 3.003e+09 -0.12 7.860e+03 / c6h13o2-1<=>c6h12ooh1-4 3.125e+09 0.00 1.865E+04 rev/ 3.754e+08 -0.12 6.060e+03 / c6h13o2-1<=>c6h12ooh1-5 3.906e+08 0.00 2.205e+04 rev/ 4.692e+07 -0.12 9.060e+03 / c6h13o2-2<=>c6h12ooh2-1 3.000e+11 0.00 2.940e+04 rev/ 7.948e+11 -0.52 1.395e+04 / c6h13o2-2<=>c6h12ooh2-3 2.000e+11 0.00 2.685e+04 rev/ 2.578e+10 -0.13 1.388e+04 / c6h13o2-2<=>c6h12ooh2-4 2.500e+10 0.00 2.085e+04 rev/ 3.223e+09 -0.13 7.880e+03 / c6h13o2-2<=>c6h12ooh2-5 3.125e+09 0.00 1.865E+04 rev/ 4.028e+08 -0.13 6.080e+03 / c6h13o2-2<=>c6h12ooh2-6 5.860e+08 0.00 2.515E+04 rev/ 1.553e+09 -0.52 1.010e+04 / c6h13o2-3<=>c6h12ooh3-1 3.750e+10 0.00 2.400E+04 rev/ 9.935e+10 -0.52 8.950e+03 / c6h13o2-3<=>c6h12ooh3-2 2.000e+11 0.00 2.685e+04 rev/ 2.578e+10 -0.13 1.388e+04 / c6h13o2-3<=>c6h12ooh3-4 2.000e+11 0.00 2.685e+04 rev/ 2.578e+10 -0.13 1.388e+04 / c6h13o2-3<=>c6h12ooh3-5 2.500e+10 0.00 2.085e+04 rev/ 3.223e+09 -0.13 7.880e+03 / c6h13o2-3<=>c6h12ooh3-6 4.688e+09 0.00 2.195E+04 rev/ 1.242e+10 -0.52 6.900e+03 / c6h13o2-1+ho2<=>c6h13o2h-1 + o2 1.750e+10 0.00 -3.275e+03 rev/ 3.538e+13 -0.78 3.360e+04 / c6h13o2-2+ho2<=>c6h13o2h-2 + o2 1.750e+10 0.00 -3.275e+03 rev/ 4.447e+13 -0.81 3.364e+04 / c6h13o2-3+ho2<=>c6h13o2h-3 + o2 1.750e+10 0.00 -3.275e+03 rev/ 4.447e+13 -0.81 3.364e+04 / c6h13o2-1+h2o2<=>c6h13o2h-1+ho2 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / c6h13o2-2+h2o2<=>c6h13o2h-2+ho2 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / c6h13o2-3+h2o2<=>c6h13o2h-3+ho2 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / c6h13o2-1+ch3o2<=>c6h13o-1+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-2+ch3o2<=>c6h13o-2+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-3+ch3o2<=>c6h13o-3+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-1+c6h13o2-1<=>o2+c6h13o-1+c6h13o-1 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-1+c6h13o2-2<=>o2+c6h13o-1+c6h13o-2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-1+c6h13o2-3<=>o2+c6h13o-1+c6h13o-3 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-2+c6h13o2-2<=>o2+c6h13o-2+c6h13o-2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-2+c6h13o2-3<=>o2+c6h13o-2+c6h13o-3 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2-3+c6h13o2-3<=>o2+c6h13o-3+c6h13o-3 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h13o2h-1<=>c6h13o-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 2.025e+07 1.93 -6.512e+03 / c6h13o2h-2<=>c6h13o-2 + oh 1.000e+16 0.00 3.900e+04 rev/ 5.977e+06 2.00 -6.892e+03 / c6h13o2h-3<=>c6h13o-3 + oh 1.000e+16 0.00 3.900e+04 rev/ 5.977e+06 2.00 -6.892e+03 / c6h13o-1<=>c5h11-1+ch2o 5.226e+20 -2.08 2.483e+04 rev/ 1.000e+11 0.00 1.190e+04 / c6h13o-2<=>pc4h9+ch3cho 2.365e+22 -2.61 1.962e+04 rev/ 1.000e+11 0.00 1.190e+04 / c6h13o-3<=>c2h5cho+nc3h7 8.045e+17 -1.17 1.817e+04 rev/ 1.000e+11 0.00 1.190e+04 / c6h12ooh1-2<=>c6h12o1-2 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh1-3<=>c6h12o1-3 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh1-4<=>c6h12o1-4 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh1-5<=>c6h12o1-5 + oh 1.172e+09 0.00 1.800e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-1<=>c6h12o1-2 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-3<=>c6h12o2-3 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-4<=>c6h12o2-4 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-5<=>c6h12o2-5 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-6<=>c6h12o1-5 + oh 1.172e+09 0.00 1.800e+03 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-2<=>c6h12o2-3 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-4<=>c6h12o3-4 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-1<=>c6h12o1-3 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-5<=>c6h12o2-4 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-6<=>c6h12o1-4 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / !c6h12ooh1-2<=>c6h12-1+ho2 1.018e+19 -2.02 1.972e+04 !!!moved down !rev/ 1.620e+11 0.00 1.269e+04 / !c6h12ooh2-1<=>c6h12-1+ho2 3.701e+21 -2.69 2.203e+04 !rev/ 1.620e+11 0.00 1.269e+04 / !c6h12ooh2-3<=>c6h12-2+ho2 3.663e+20 -2.48 2.164e+04 !rev/ 1.620e+11 0.00 1.269e+04 / !c6h12ooh3-2<=>c6h12-2+ho2 3.663e+20 -2.48 2.164e+04 !rev/ 1.620e+11 0.00 1.269e+04 / !c6h12ooh3-4<=>c6h12-3+ho2 2.682e+20 -2.41 2.173e+04 !rev/ 3.236e+11 0.00 1.269e+04 / c6h12ooh1-3<=>oh+ch2o+c5h10-1 7.703e+13 -0.16 3.009e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh2-4<=>oh+ch3cho+c4h8-1 2.933e+18 -1.70 2.408e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-5<=>oh+c2h5cho+c3h6 1.171e+17 -1.31 2.888e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh3-1<=>oh+ch3cho+c2h4+c2h4 7.326e+18 -1.74 2.742e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12ooh1-2o2<=>c6h12ooh1-2 + o2 8.868e+22 -2.31 3.798e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh1-3o2<=>c6h12ooh1-3 + o2 8.868e+22 -2.31 3.798e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh1-4o2<=>c6h12ooh1-4 + o2 8.868e+22 -2.31 3.798e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh1-5o2<=>c6h12ooh1-5 + o2 8.868e+22 -2.31 3.798e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh2-1o2<=>c6h12ooh2-1 + o2 1.463e+20 -1.64 3.567e+04 rev/ 4.520e+12 0.00 0.000e+00 / c6h12ooh2-3o2<=>c6h12ooh2-3 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh2-4o2<=>c6h12ooh2-4 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh2-5o2<=>c6h12ooh2-5 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh2-6o2<=>c6h12ooh2-6 + o2 1.463e+20 -1.64 3.567e+04 rev/ 4.520e+12 0.00 0.000e+00 / c6h12ooh3-1o2<=>c6h12ooh3-1 + o2 1.463e+20 -1.64 3.567e+04 rev/ 4.520e+12 0.00 0.000e+00 / c6h12ooh3-2o2<=>c6h12ooh3-2 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh3-4o2<=>c6h12ooh3-4 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh3-5o2<=>c6h12ooh3-5 + o2 4.792e+22 -2.33 3.796e+04 rev/ 7.540e+12 0.00 0.000e+00 / c6h12ooh3-6o2<=>c6h12ooh3-6 + o2 1.463e+20 -1.64 3.567e+04 rev/ 4.520e+12 0.00 0.000e+00 / c6h12ooh1-2o2<=>nc6ket12 + oh 2.000e+11 0.00 2.600E+04 rev/ 2.607e-12 6.14 3.970e+04 / c6h12ooh1-3o2<=>nc6ket13 + oh 2.500e+10 0.00 2.100E+04 rev/ 8.825e+02 1.56 4.471e+04 / c6h12ooh1-4o2<=>nc6ket14 + oh 3.125e+09 0.00 1.895E+04 rev/ 1.103e+02 1.56 4.266e+04 / c6h12ooh1-5o2<=>nc6ket15 + oh 3.906e+08 0.00 2.215E+04 rev/ 1.379e+01 1.56 4.586e+04 / c6h12ooh2-1o2<=>nc6ket21 + oh 1.000e+11 0.00 2.345E+04 rev/ 2.253e+02 1.91 5.003e+04 / c6h12ooh2-3o2<=>nc6ket23 + oh 1.000e+11 0.00 2.345E+04 rev/ 1.156e+03 1.79 4.909e+04 / c6h12ooh2-4o2<=>nc6ket24 + oh 1.250e+10 0.00 1.745E+04 rev/ 4.618e+01 1.97 4.388e+04 / c6h12ooh2-5o2<=>nc6ket25 + oh 1.563e+09 0.00 1.565E+04 rev/ 5.774e+00 1.97 4.208e+04 / c6h12ooh2-6o2<=>nc6ket26 + oh 3.906e+08 0.00 2.215E+04 rev/ 1.939e+00 1.92 4.859e+04 / c6h12ooh3-1o2<=>nc6ket31 + oh 1.250e+10 0.00 1.745E+04 rev/ 5.308e+01 1.91 4.419e+04 / c6h12ooh3-2o2<=>nc6ket32 + oh 1.000e+11 0.00 2.345E+04 rev/ 7.384e+02 1.82 4.935e+04 / c6h12ooh3-4o2<=>nc6ket34 + oh 1.000e+11 0.00 2.345E+04 rev/ 7.384e+02 1.82 4.935e+04 / c6h12ooh3-5o2<=>nc6ket35 + oh 1.250e+10 0.00 1.745E+04 rev/ 3.503e+01 1.98 4.416e+04 / c6h12ooh3-6o2<=>nc6ket36 + oh 1.563e+09 0.00 1.565E+04 rev/ 6.638e+00 1.91 4.239e+04 / nc6ket12<=>nc4h9cho+hco + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket13<=>nc3h7cho+ch2cho + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket14<=>c2h5cho+ch2ch2cho + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket15<=>ch3cho+c3h6cho-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket21<=>ch2o+nc4h9co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket23<=>nc3h7cho+ch3co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket24<=>c2h5cho+ch3coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket25<=>ch3cho+ch2ch2coch3 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket26<=>ch2o+c3h6coch3-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket31<=>ch2o+nc3h7coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket32<=>ch3cho+nc3h7co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket34<=>c2h5cho+c2h5co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket35<=>ch3cho+c2h5coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc6ket36<=>ch2o+c2h5coc2h4p + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-2 + oh<=>c2h3cho+nc3h7+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-3 + oh<=>c5h10-1+hco+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-4 + oh<=>c4h8-1+ch2cho+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-5 + oh<=>c3h6+ch2ch2cho+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-3 + oh<=>c2h3coch3+c2h5+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-4 + oh<=>c4h8-1+ch3co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-5 + oh<=>c3h6+ch3coch2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o3-4 + oh<=>c2h5coc2h3+ch3+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-2 + oh<=>ch2co+pc4h9+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-3 + oh<=>c2h4+nc3h7co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-4 + oh<=>c2h4+c2h5coch2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-5 + oh<=>c2h4+ch2ch2coch3+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-3 + oh<=>ch3chco+nc3h7+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-4 + oh<=>c3h6+c2h5co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-5 + oh<=>ch3cho+c4h71-3+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o3-4 + oh<=>c2h5cho+c3h5-s+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-2+ho2<=>c2h3cho+nc3h7+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-3+ho2<=>c5h10-1+hco+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-4+ho2<=>c4h8-1+ch2cho+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-5+ho2<=>c3h6+ch2ch2cho+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-3+ho2<=>c2h3coch3+c2h5+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-4+ho2<=>c4h8-1+ch3co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-5+ho2<=>c3h6+ch3coch2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o3-4+ho2<=>c2h5coc2h3+ch3+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-2+ho2<=>ch2co+pc4h9+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-3+ho2<=>c2h4+nc3h7co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-4+ho2<=>c2h4+c2h5coch2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o1-5+ho2<=>c2h4+ch2ch2coch3+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-3+ho2<=>ch3chco+nc3h7+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-4+ho2<=>c3h6+c2h5co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o2-5+ho2<=>ch3cho+c4h71-3+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12o3-4+ho2<=>c2h5cho+c3h5-s+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / ! ! ! ! ! !c6h12-1 + oh<=>c6h12oh-1 1.000e+12 0.00 -1.042e+03 !o2c6h12oh-1<=>c6h12oh-1 + o2 1.822e+21 -1.92 3.776e+04 !rev/ 2.000e+12 0.00 0.000e+00 / !o2c6h12oh-1<=>nc4h9cho+ch2o + oh 2.500e+10 0.00 1.886e+04 !rev/ 0.000e+00 0.00 0.000e+00 / ! c6h12-1 + oh<=>c6h12oh-1 1.000e+13 0.00 0.0000e+03 !!!!!!!!!!!!!!!!waddington c6h12oh-1 + o2<=>o2c6h12oh-1 0.600e+13 .000 .0 !!!puo' essere in posiz. 1 o 2 !!!o2c6h12oh-1<=>nc4h9cho+ch2o + oh 2.500e+10 0.00 1.886e+04 o2c6h12oh-1<=>nc4h9cho+ch2o + oh 1.00e+12 0.00 2.780e+04 ! ! ! c6h12oh-2<=>c6h12-2 + oh 1.065e+16 -1.00 2.933e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c6h12oh-2<=>c6h12oh-2 + o2 3.816e+21 -2.02 3.783e+04 rev/ 2.000e+12 0.00 0.000e+00 / o2c6h12oh-2<=>nc3h7cho+ch3cho + oh 2.500e+10 0.00 1.886e+04 rev/ 0.000e+00 0.00 0.000e+00 / c6h12oh-3<=>c6h12-3 + oh 3.903e+15 -0.93 2.942e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c6h12oh-3<=>c6h12oh-3 + o2 3.816e+21 -2.02 3.783e+04 rev/ 2.000e+12 0.00 0.000e+00 / o2c6h12oh-3<=>oh+c2h5cho+c2h5cho 2.500e+10 0.00 1.886e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc4h9cho + o2<=>nc4h9co+ho2 2.000e+13 0.50 4.220e+04 rev/ 1.000e+07 0.00 4.000e+04 / nc4h9cho + oh<=>nc4h9co+h2o 2.690e+10 0.76 -3.400e+02 rev/ 2.143e+10 0.73 3.124e+04 / nc4h9cho+h<=>nc4h9co+h2 4.000e+13 0.00 4.200e+03 rev/ 1.800e+13 0.00 2.400e+04 / nc4h9cho+o<=>nc4h9co + oh 5.000e+12 0.00 1.790e+03 rev/ 1.000e+12 0.00 1.900e+04 / nc4h9cho+ho2<=>nc4h9co+h2o2 2.800e+12 0.00 1.360e+04 rev/ 1.000e+12 0.00 1.000e+04 / nc4h9cho+ch3<=>nc4h9co+ch4 1.700e+12 0.00 8.440e+03 rev/ 1.500e+13 0.00 2.800e+04 / nc4h9cho+ch3o<=>nc4h9co+ch3oh 1.150e+11 0.00 1.280e+03 rev/ 3.000e+11 0.00 1.800e+04 / nc4h9cho+ch3o2<=>nc4h9co+ch3o2h 1.000e+12 0.00 9.500e+03 rev/ 2.500e+10 0.00 1.000e+04 / nc4h9cho + oh<=>c4h8cho-1+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.233e+09 0.95 2.104e+04 / nc4h9cho + oh<=>c4h8cho-2+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.837e+05 1.93 2.192e+04 / nc4h9cho + oh<=>c4h8cho-3+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.837e+05 1.93 2.192e+04 / nc4h9cho + oh<=>c4h8cho-4+h2o 4.670e+07 1.61 -3.500e+01 rev/ 1.202e+09 1.34 2.887e+04 / nc4h9co<=>pc4h9+co 1.000e+11 0.00 9.600e+03 rev/ 1.000e+11 0.00 0.000e+00 / c4h8cho-1<=>c2h4+ch2ch2cho 5.984e+18 -1.60 3.043e+04 rev/ 2.500e+11 0.00 7.800e+03 / c4h8cho-2<=>c3h6+ch2cho 2.984e+14 -0.76 2.332e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h8cho-3<=>c4h8-1+hco 4.797e+14 -0.72 2.435e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h8cho-3<=>ac3h5cho+ch3 3.643e+13 -0.36 3.033e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h8cho-4<=>c2h3cho+c2h5 1.863e+18 -1.30 3.083e+04 rev/ 1.000e+11 0.00 7.800e+03 / ac3h5cho<=>c3h5-a+hco 1.813e+19 -1.08 6.848e+04 rev/ 1.000e+13 0.00 0.000e+00 / ac3h5cho + oh<=>ac3h5co+h2o 2.690e+10 0.76 -3.400e+02 rev/ 1.741e+10 0.76 3.120e+04 / ac3h5cho + oh<=>c2h3chcho+h2o 3.120e+06 2.00 -2.980e+02 rev/ 1.246e+08 1.79 3.493e+04 / ac3h5cho+ho2<=>ac3h5co+h2o2 3.000e+12 0.00 1.192e+04 rev/ 1.152e+13 -0.33 1.199e+04 / ac3h5cho+ho2<=>c2h3chcho+h2o2 9.630e+03 2.60 1.391e+04 rev/ 2.283e+06 2.06 1.767e+04 / ac3h5cho+ch3o2<=>ac3h5co+ch3o2h 1.000e+12 0.00 1.192e+04 rev/ 1.579e+13 -0.51 1.127e+04 / ac3h5cho+ch3o2<=>c2h3chcho+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.939e+15 -0.72 2.009e+04 / ac3h5co<=>c3h5-a+co 6.199e+15 -1.09 -3.300e+02 rev/ 1.500e+11 0.00 4.810e+03 / c2h3chcho+ho2=>c2h3cho+hco + oh 8.910e+12 0.00 0.000e+00 ! wjp: reverse rate above collisonal. make reaction one way. reaction occurs in 2 steps nc3h7coch3 + oh<=>c3h6coch3-1+h2o 2.065e+07 1.73 7.530e+02 rev/ 3.604e+06 1.75 2.017e+04 / nc3h7coch3 + oh<=>c3h6coch3-2+h2o 3.615e+07 1.64 -2.470e+02 rev/ 3.668e+05 2.01 2.166e+04 / nc3h7coch3 + oh<=>c3h6coch3-3+h2o 8.450e+11 0.00 -2.280e+02 rev/ 2.368e+13 -0.28 2.870e+04 / nc3h7coch3 + oh<=>nc3h7coch2+h2o 5.100e+11 0.00 1.192e+03 rev/ 9.286e+13 -0.74 2.773e+04 / nc3h7coch3+ho2<=>c3h6coch3-1+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.465e+04 2.24 4.442e+03 / nc3h7coch3+ho2<=>c3h6coch3-2+h2o2 5.600e+12 0.00 1.770e+04 rev/ 3.373e+11 0.05 8.142e+03 / nc3h7coch3+ho2<=>c3h6coch3-3+h2o2 2.000e+11 0.00 8.698e+03 rev/ 3.327e+13 -0.60 6.160e+03 / nc3h7coch3+ho2<=>nc3h7coch2+h2o2 2.380e+04 2.55 1.469e+04 rev/ 2.572e+07 1.48 9.762e+03 / nc3h7coch3+ch3o2<=>c3h6coch3-1+ch3o2h 3.010e+12 0.00 1.938e+04 rev/ 1.281e+13 -0.49 6.607e+03 / nc3h7coch3+ch3o2<=>c3h6coch3-2+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 4.926e+11 -0.13 6.774e+03 / nc3h7coch3+ch3o2<=>c3h6coch3-3+ch3o2h 2.000e+12 0.00 1.525e+04 rev/ 1.367e+15 -0.78 1.199e+04 / nc3h7coch3+ch3o2<=>nc3h7coch2+ch3o2h 3.010e+12 0.00 1.758e+04 rev/ 1.337e+16 -1.25 1.193e+04 / c3h6coch3-1<=>c2h4+ch3coch2 2.904e+16 -1.21 2.700e+04 rev/ 1.000e+11 0.00 8.600e+03 / c3h6coch3-2<=>c3h6+ch3co 2.719e+16 -1.05 2.559e+04 rev/ 1.000e+11 0.00 7.800e+03 / c3h6coch3-3<=>c2h3coch3+ch3 9.615e+15 -0.75 3.239e+04 rev/ 1.000e+11 0.00 7.800e+03 / nc3h7coch2<=>nc3h7+ch2co 1.226e+18 -1.40 4.345e+04 rev/ 1.000e+11 0.00 1.160e+04 / c2h5coc2h5 + oh<=>c2h5coc2h4p+h2o 1.054e+10 0.97 1.586e+03 rev/ 1.194e+09 0.95 2.103e+04 / c2h5coc2h5 + oh<=>c2h5coc2h4s+h2o 1.690e+12 0.00 -2.280e+02 rev/ 3.296e+13 -0.32 2.874e+04 / c2h5coc2h5+ho2<=>c2h5coc2h4p+h2o2 4.760e+04 2.55 1.649e+04 rev/ 3.201e+04 2.20 4.472e+03 / c2h5coc2h5+ho2<=>c2h5coc2h4s+h2o2 4.000e+11 0.00 8.698e+03 rev/ 4.631e+13 -0.65 6.200e+03 / c2h5coc2h5 + o2<=>c2h5coc2h4p+ho2 4.100e+13 0.00 5.131e+04 rev/ 1.949e+10 0.31 -1.882e+03 / c2h5coc2h5 + o2<=>c2h5coc2h4s+ho2 3.100e+13 0.00 4.197e+04 rev/ 2.537e+12 0.00 -1.702e+03 / c2h5coc2h5+h<=>c2h5coc2h4p+h2 1.832e+07 2.00 7.700e+03 rev/ 4.794e+05 1.98 1.199e+04 / c2h5coc2h5+h<=>c2h5coc2h4s+h2 8.960e+06 2.00 3.200e+03 rev/ 4.036e+07 1.68 1.701e+04 / c2h5coc2h5+c2h3<=>c2h5coc2h4p+c2h4 1.000e+12 0.00 1.040e+04 rev/ 3.850e+08 0.81 1.404e+04 / c2h5coc2h5+c2h3<=>c2h5coc2h4s+c2h4 6.000e+11 0.00 5.600e+03 rev/ 3.976e+10 0.50 1.876e+04 / c2h5coc2h5+c2h5<=>c2h5coc2h4p+c2h6 1.000e+11 0.00 1.340e+04 rev/ 1.070e+13 -0.58 1.400e+04 / c2h5coc2h5+c2h5<=>c2h5coc2h4s+c2h6 6.000e+10 0.00 8.600e+03 rev/ 1.105e+15 -0.89 1.872e+04 / c2h5coc2h5+ch3o<=>c2h5coc2h4p+ch3oh 4.340e+11 0.00 6.460e+03 rev/ 5.475e+09 0.00 9.020e+03 / c2h5coc2h5+ch3o<=>c2h5coc2h4s+ch3oh 2.900e+11 0.00 2.771e+03 rev/ 6.298e+11 -0.30 1.485e+04 / c2h5coc2h5+ch3o2<=>c2h5coc2h4p+ch3o2h 6.020e+12 0.00 1.938e+04 rev/ 1.664e+13 -0.52 6.642e+03 / c2h5coc2h5+ch3o2<=>c2h5coc2h4s+ch3o2h 4.000e+12 0.00 1.525e+04 rev/ 1.903e+15 -0.83 1.203e+04 / c2h5coc2h4p<=>c2h5co+c2h4 1.769e+17 -1.46 2.954e+04 rev/ 8.000e+10 0.00 1.130e+04 / c2h5coc2h4s<=>c2h5coc2h3+h 8.704e+16 -0.82 4.213e+04 rev/ 1.300e+13 0.00 1.560e+03 / c2h5coc2h3 + oh<=>c2h5coch2+ch2o 1.000e+10 0.00 0.000e+00 rev/ 1.673e+11 -0.39 1.822e+04 / c2h5coc2h3 + oh<=>pc2h4coc2h3+h2o 7.550e+09 0.97 1.586e+03 rev/ 1.285e+08 2.53 2.021e+04 / c2h5coc2h3 + oh<=>sc2h4coc2h3+h2o 8.450e+11 0.00 -2.280e+02 rev/ 1.350e+13 -0.20 2.860e+04 / c2h5coc2h3+ho2<=>c2h5co+ch2cho + oh 6.030e+09 0.00 7.949e+03 rev/ 1.000e+00 0.00 0.000e+00 / c2h5coc2h3+ho2<=>pc2h4coc2h3+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.405e+03 3.78 3.652e+03 / c2h5coc2h3+ho2<=>sc2h4coc2h3+h2o2 2.000e+11 0.00 8.698e+03 rev/ 1.896e+13 -0.53 6.065e+03 / c2h5coc2h3+ch3o2<=>c2h5co+ch2cho+ch3o 3.970e+11 0.00 1.705e+04 rev/ 1.000e+00 0.00 0.000e+00 / c2h5coc2h3+ch3o2<=>pc2h4coc2h3+ch3o2h 3.010e+12 0.00 1.938e+04 rev/ 1.250e+12 1.06 5.822e+03 / c2h5coc2h3+ch3o2<=>sc2h4coc2h3+ch3o2h 2.000e+12 0.00 1.525e+04 rev/ 7.793e+14 -0.71 1.190e+04 / pc2h4coc2h3<=>c2h3co+c2h4 5.263e+14 0.38 2.146e+04 rev/ 8.000e+10 0.00 1.130e+04 / sc2h4coc2h3<=>ch3chco+c2h3 1.637e+16 -0.74 5.459e+04 rev/ 8.000e+10 0.00 1.260e+04 / ! ! ! nc7h16<=>h+c7h15-1 2.680e+88 -21.17 1.428e+05 rev/ 7.264e+84 -20.81 4.156e+04 / nc7h16<=>h+c7h15-2 1.300e+88 -21.01 1.395e+05 rev/ 2.263e+83 -20.31 4.083e+04 / nc7h16<=>h+c7h15-3 1.300e+88 -21.01 1.395e+05 rev/ 2.263e+83 -20.31 4.083e+04 / nc7h16<=>h+c7h15-4 6.500e+87 -21.01 1.395e+05 rev/ 2.255e+83 -20.31 4.083e+04 / nc7h16(+m)<=>c6h13-1+ch3(+m) 4.325e+24 -2.12 8.990e+04 !rev/ 4.630e+14 -0.32 5.000e+00 / low / 4.9630e+42 -7.7800e+00 4.2800e+04 / troe / 8.9200e-01 1.0000e+10 2.2280e+00 1.7980e+09 / !troe fall-off reaction nc7h16(+m)<=>c5h11-1+c2h5(+m) 6.818e+26 -2.70 8.891e+04 !rev/ 3.260e+15 -0.68 0.000e+00 / low / 3.7530e+48 -9.4600e+00 4.1310e+04 / troe / 9.0000e-02 3.6556e+00 1.0000e+10 9.3300e+09 / !troe fall-off reaction nc7h16(+m)<=>pc4h9+nc3h7(+m) 1.362e+26 -2.53 8.876e+04 !rev/ 3.100e+14 -0.35 0.000e+00 / low / 6.5090e+48 -9.5700e+00 4.1290e+04 / troe / 9.1100e-01 1.0000e+10 2.2382e+01 5.0000e+09 / !troe fall-off reaction nc7h16+h<=>c7h15-1+h2 1.880e+05 2.75 6.280e+03 rev/ 2.037e+01 3.38 8.618e+03 / nc7h16+h<=>c7h15-2+h2 2.600e+06 2.40 4.471e+03 rev/ 1.807e+01 3.38 9.318e+03 / nc7h16+h<=>c7h15-3+h2 2.600e+06 2.40 4.471e+03 rev/ 1.807e+01 3.38 9.318e+03 / nc7h16+h<=>c7h15-4+h2 1.300e+06 2.40 4.471e+03 rev/ 1.800e+01 3.38 9.318e+03 / nc7h16+o<=>c7h15-1 + oh 1.930e+05 2.68 3.716e+03 rev/ 1.085e+01 3.29 4.642e+03 / nc7h16+o<=>c7h15-2 + oh 9.540e+04 2.71 2.106e+03 rev/ 3.481e-01 3.67 5.541e+03 / nc7h16+o<=>c7h15-3 + oh 9.540e+04 2.71 2.106e+03 rev/ 3.481e-01 3.67 5.541e+03 / nc7h16+o<=>c7h15-4 + oh 4.770e+04 2.71 2.106e+03 rev/ 3.468e-01 3.67 5.541e+03 / nc7h16 + oh<=>c7h15-1+h2o 1.056E+10 0.97 1.590E+03 rev/ 2.952e+04 2.33 1.818e+04 / nc7h16 + oh<=>c7h15-2+h2o 9.400E+07 1.61 -3.500E+01 rev/ 3.624e+02 2.87 1.914e+04 / nc7h16 + oh<=>c7h15-3+h2o 9.400E+07 1.61 -3.500E+01 rev/ 3.624e+02 2.87 1.914e+04 / nc7h16 + oh<=>c7h15-4+h2o 4.700E+07 1.61 -3.500E+01 rev/ 3.610e+02 2.87 1.914e+04 / ! !henry hct ! nc7h16+ho2<=>c7h15-1+h2o2 4.080e+01 3.59 1.716e+04 rev/ 2.557e+00 3.53 3.498e+03 / nc7h16+ho2<=>c7h15-2+h2o2 1.264e+02 3.37 1.372e+04 rev/ 4.982e-01 3.66 2.562e+03 / nc7h16+ho2<=>c7h15-3+h2o2 1.264e+02 3.37 1.372e+04 rev/ 4.982e-01 3.66 2.562e+03 / nc7h16+ho2<=>c7h15-4+h2o2 6.320e+01 3.37 1.372e+04 rev/ 4.952e-01 3.66 2.562e+03 / ! ! ! nc7h16+ch3<=>c7h15-1+ch4 9.040e-01 3.65 7.154e+03 rev/ 8.935e-02 3.84 1.103e+04 / nc7h16+ch3<=>c7h15-2+ch4 5.410e+04 2.26 7.287e+03 rev/ 3.432e+02 2.79 1.367e+04 / nc7h16+ch3<=>c7h15-3+ch4 5.410e+04 2.26 7.287e+03 rev/ 3.432e+02 2.79 1.367e+04 / nc7h16+ch3<=>c7h15-4+ch4 2.705e+04 2.26 7.287e+03 rev/ 3.419e+02 2.79 1.367e+04 / ! !!henry hct ! nc7h16 + o2<=>c7h15-1+ho2 4.200e+13 0.00 5.280e+04 rev/ 2.386e+10 0.28 4.530e+02 / nc7h16 + o2<=>c7h15-2+ho2 2.800e+13 0.00 5.015e+04 rev/ 1.000e+09 0.63 3.090e+02 / nc7h16 + o2<=>c7h15-3+ho2 2.800e+13 0.00 5.015e+04 rev/ 1.000e+09 0.63 3.090e+02 / nc7h16 + o2<=>c7h15-4+ho2 1.400e+13 0.00 5.015e+04 rev/ 9.941e+08 0.63 3.090e+02 / ! ! ! nc7h16+c2h5<=>c7h15-1+c2h6 1.000e+11 0.00 1.340e+04 rev/ 3.200e+11 0.00 1.230e+04 / nc7h16+c2h5<=>c7h15-2+c2h6 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc7h16+c2h5<=>c7h15-3+c2h6 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc7h16+c2h5<=>c7h15-4+c2h6 5.000e+10 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.290e+04 / nc7h16+ch3o<=>c7h15-1+ch3oh 3.160e+11 0.00 7.000e+03 rev/ 1.200e+10 0.00 9.200e+03 / nc7h16+ch3o<=>c7h15-2+ch3oh 2.190e+11 0.00 5.000e+03 rev/ 8.900e+09 0.00 7.200e+03 / nc7h16+ch3o<=>c7h15-3+ch3oh 2.190e+11 0.00 5.000e+03 rev/ 8.900e+09 0.00 7.200e+03 / nc7h16+ch3o<=>c7h15-4+ch3oh 1.095e+11 0.00 5.000e+03 rev/ 8.900e+09 0.00 7.200e+03 / nc7h16+c2h3<=>c7h15-1+c2h4 1.000e+12 0.00 1.800e+04 rev/ 2.570e+12 0.00 2.540e+04 / nc7h16+c2h3<=>c7h15-2+c2h4 8.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / nc7h16+c2h3<=>c7h15-3+c2h4 8.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / nc7h16+c2h3<=>c7h15-4+c2h4 4.000e+11 0.00 1.680e+04 rev/ 2.000e+12 0.00 2.420e+04 / ! !!henry hct ! nc7h16+ch3o2<=>c7h15-1+ch3o2h 1.386e+00 3.97 1.828e+04 rev/ 1.690e+00 3.46 3.024e+03 / nc7h16+ch3o2<=>c7h15-2+ch3o2h 2.037e+01 3.58 1.481e+04 rev/ 1.562e+00 3.42 2.054e+03 / nc7h16+ch3o2<=>c7h15-3+ch3o2h 2.037e+01 3.58 1.481e+04 rev/ 1.562e+00 3.42 2.054e+03 / nc7h16+ch3o2<=>c7h15-4+ch3o2h 1.019e+01 3.58 1.481e+04 rev/ 1.553e+00 3.42 2.054e+03 / ! ! ! nc7h16 + o2cho<=>c7h15-1+ho2cho 1.680e+13 0.00 2.044e+04 rev/ 1.170e+03 2.25 3.057e+03 / nc7h16 + o2cho<=>c7h15-2+ho2cho 1.120e+13 0.00 1.769e+04 rev/ 2.482e+01 2.64 2.823e+03 / nc7h16 + o2cho<=>c7h15-3+ho2cho 1.120e+13 0.00 1.769e+04 rev/ 2.482e+01 2.64 2.823e+03 / nc7h16 + o2cho<=>c7h15-4+ho2cho 5.600e+12 0.00 1.769e+04 rev/ 2.472e+01 2.64 2.823e+03 / nc7h16+c7h15o2-1<=>c7h15-1+c7h15o2h-1 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-2<=>c7h15-1+c7h15o2h-2 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-1+c7h15o2h-3 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-1+c7h15o2h-4 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-1<=>c7h15-2+c7h15o2h-1 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-2<=>c7h15-2+c7h15o2h-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-2+c7h15o2h-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-2+c7h15o2h-4 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-1<=>c7h15-3+c7h15o2h-1 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-2<=>c7h15-3+c7h15o2h-2 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-3+c7h15o2h-3 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-3+c7h15o2h-4 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-1<=>c7h15-4+c7h15o2h-1 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-2<=>c7h15-4+c7h15o2h-2 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-3<=>c7h15-4+c7h15o2h-3 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15o2-4<=>c7h15-4+c7h15o2h-4 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / nc7h16+c7h15-1<=>c7h15-2+nc7h16 1.000e+11 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc7h16+c7h15-1<=>c7h15-3+nc7h16 1.000e+11 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc7h16+c7h15-1<=>c7h15-4+nc7h16 5.000e+10 0.00 1.040e+04 rev/ 1.500e+11 0.00 1.230e+04 / nc7h16+c7h15-2<=>c7h15-3+nc7h16 1.000e+11 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.040e+04 / nc7h16+c7h15-2<=>c7h15-4+nc7h16 5.000e+10 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.040e+04 / nc7h16+c7h15-3<=>c7h15-4+nc7h16 5.000e+10 0.00 1.040e+04 rev/ 1.000e+11 0.00 1.040e+04 / ! ! ! ! ! ! c7h15-1<=>c5h11-1+c2h4 1.227e+19 -1.91 3.140e+04 rev/ 1.000e+11 0.00 8.200e+03 / c7h15-1<=>c7h14-1+h 9.648e+13 -0.26 3.601e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-2<=>pc4h9+c3h6 9.764e+18 -1.79 3.136e+04 rev/ 1.000e+11 0.00 8.200e+03 / c7h15-2<=>c7h14-1+h 6.067e+12 0.09 3.681e+04 rev/ 1.000e+13 0.00 1.200e+03 / c7h15-2<=>c7h14-2+h 1.229e+13 -0.08 3.564e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-3<=>c4h8-1+nc3h7 6.165e+18 -1.71 3.096e+04 rev/ 1.000e+11 0.00 7.700e+03 / c7h15-3<=>c6h12-1+ch3 2.698e+17 -1.35 3.148e+04 rev/ 1.750e+11 0.00 7.200e+03 / c7h15-3<=>c7h14-2+h 1.229e+13 -0.08 3.564e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-3<=>c7h14-3+h 9.152e+12 -0.02 3.573e+04 rev/ 1.000e+13 0.00 2.900e+03 / c7h15-4<=>c2h5+c5h10-1 1.143e+18 -1.34 3.143e+04 rev/ 1.000e+11 0.00 8.200e+03 / c7h15-4<=>c7h14-3+h 1.819e+13 -0.02 3.573e+04 rev/ 1.000e+13 0.00 2.900e+03 / ! ! ! ! c7h15-1 + o2<=>c7h14-1+ho2 3.000e-09 0.00 3.000e+03 rev/ 6.517e-10 0.18 1.876e+04 / c7h15-2 + o2<=>c7h14-1+ho2 4.500e-09 0.00 5.020e+03 rev/ 1.532e-08 -0.16 1.827e+04 / c7h15-2 + o2<=>c7h14-2+ho2 3.000e-09 0.00 3.000e+03 rev/ 5.040e-09 0.01 1.912e+04 / c7h15-3 + o2<=>c7h14-2+ho2 3.000e-09 0.00 3.000e+03 rev/ 5.040e-09 0.01 1.912e+04 / c7h15-3 + o2<=>c7h14-3+ho2 3.000e-09 0.00 3.000e+03 rev/ 6.769e-09 -0.05 1.903e+04 / c7h15-4 + o2<=>c7h14-3+ho2 6.000e-09 0.00 3.000e+03 rev/ 6.795e-09 -0.05 1.903e+04 / ! ! ! c7h15-1<=>c7h15-3 1.386e+09 0.98 3.376e+04 rev/ 8.716e+07 1.33 3.627e+04 / c7h15-1<=>c7h15-4 2.541e+09 0.35 1.976e+04 rev/ 3.176e+08 0.70 2.227e+04 / c7h15-2<=>c7h15-3 9.587e+08 1.39 3.970e+04 rev/ 9.587e+08 1.39 3.970e+04 / c7h15-1<=>c7h15-2 5.478e+08 1.62 3.876e+04 rev/ 3.445e+07 1.97 4.127e+04 / ! ! c7h14-1+h<=>c7h131-3+h2 3.376e+05 2.36 2.070e+02 rev/ 4.393e+06 2.10 2.062e+04 / c7h14-1+h<=>c7h131-4+h2 1.300e+06 2.40 4.471e+03 rev/ 3.834e+03 2.74 1.154e+04 / c7h14-1+h<=>c7h131-5+h2 1.300e+06 2.40 4.471e+03 rev/ 3.834e+03 2.74 1.154e+04 / c7h14-1+h<=>c7h131-6+h2 1.300e+06 2.40 4.471e+03 rev/ 3.834e+03 2.74 1.154e+04 / c7h14-1+h<=>c7h131-7+h2 6.650e+05 2.54 6.756e+03 rev/ 3.056e+04 2.54 1.132e+04 / c7h14-1 + oh<=>c7h131-3+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.557e+06 2.38 3.365e+04 / c7h14-1 + oh<=>c7h131-4+h2o 4.670e+07 1.61 -3.500e+01 rev/ 5.963e+05 1.95 2.219e+04 / c7h14-1 + oh<=>c7h131-5+h2o 4.670e+07 1.61 -3.500e+01 rev/ 5.963e+05 1.95 2.219e+04 / c7h14-1 + oh<=>c7h131-6+h2o 4.670e+07 1.61 -3.500e+01 rev/ 5.963e+05 1.95 2.219e+04 / c7h14-1 + oh<=>c7h131-7+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.049e+09 0.97 2.130e+04 / c7h14-1+ch3<=>c7h131-3+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.254e+03 3.05 2.489e+04 / c7h14-1+ch3<=>c7h131-4+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.163e-01 3.80 1.303e+04 / c7h14-1+ch3<=>c7h131-5+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.163e-01 3.80 1.303e+04 / c7h14-1+ch3<=>c7h131-6+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.163e-01 3.80 1.303e+04 / c7h14-1+ch3<=>c7h131-7+ch4 4.521e-01 3.65 7.154e+03 rev/ 5.427e-01 3.65 1.219e+04 / c7h14-1+ho2<=>c7h131-3+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.612e+06 1.96 1.463e+04 / c7h14-1+ho2<=>c7h131-4+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.307e+02 2.62 4.672e+03 / c7h14-1+ho2<=>c7h131-5+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.307e+02 2.62 4.672e+03 / c7h14-1+ho2<=>c7h131-6+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.307e+02 2.62 4.672e+03 / c7h14-1+ho2<=>c7h131-7+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.811e+04 2.22 4.746e+03 / c7h14-1+ch3o2<=>c7h131-3+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.357e+06 1.79 1.161e+04 / c7h14-1+ch3o2<=>c7h131-4+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.521e+03 2.44 1.652e+03 / c7h14-1+ch3o2<=>c7h131-5+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.521e+03 2.44 1.652e+03 / c7h14-1+ch3o2<=>c7h131-6+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.521e+03 2.44 1.652e+03 / c7h14-1+ch3o2<=>c7h131-7+ch3o2h 2.380e+04 2.55 1.649e+04 rev/ 5.853e+04 2.04 1.726e+03 / c7h14-1+ch3o<=>c7h131-3+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.510e+02 2.66 2.729e+04 / c7h14-1+ch3o<=>c7h131-4+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.062e+08 0.37 9.911e+03 / c7h14-1+ch3o<=>c7h131-5+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.062e+08 0.37 9.911e+03 / c7h14-1+ch3o<=>c7h131-6+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.062e+08 0.37 9.911e+03 / c7h14-1+ch3o<=>c7h131-7+ch3oh 2.170e+11 0.00 6.458e+03 rev/ 4.808e+09 0.02 9.288e+03 / c7h14-2+h<=>c7h131-3+h2 1.730e+05 2.50 2.492e+03 rev/ 4.561e+06 2.06 2.003e+04 / c7h14-2+h<=>c7h132-4+h2 3.376e+05 2.36 2.070e+02 rev/ 4.400e+06 2.10 2.059e+04 / c7h14-2+h<=>c7h132-5+h2 1.300e+06 2.40 4.471e+03 rev/ 3.843e+03 2.74 1.152e+04 / c7h14-2+h<=>c7h132-6+h2 1.300e+06 2.40 4.471e+03 rev/ 3.843e+03 2.74 1.152e+04 / c7h14-2+h<=>c7h132-7+h2 6.651e+05 2.54 6.756e+03 rev/ 3.149e+04 2.53 1.130e+04 / c7h14-2 + oh<=>c7h131-3+h2o 3.120e+06 2.00 -2.980e+02 rev/ 3.561e+08 1.56 3.240e+04 / c7h14-2 + oh<=>c7h132-4+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.560e+06 2.38 3.362e+04 / c7h14-2 + oh<=>c7h132-5+h2o 4.670e+05 1.61 -3.500e+01 rev/ 5.978e+03 1.95 2.217e+04 / c7h14-2 + oh<=>c7h132-6+h2o 4.670e+05 1.61 -3.500e+01 rev/ 5.978e+03 1.95 2.217e+04 / c7h14-2 + oh<=>c7h132-7+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.080e+09 0.96 2.128e+04 / c7h14-2+ch3<=>c7h131-3+ch4 2.210e+00 3.50 5.675e+03 rev/ 1.522e+03 3.06 2.370e+04 / c7h14-2+ch3<=>c7h132-4+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.256e+03 3.05 2.486e+04 / c7h14-2+ch3<=>c7h132-5+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.166e-01 3.80 1.301e+04 / c7h14-2+ch3<=>c7h132-6+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.166e-01 3.80 1.301e+04 / c7h14-2+ch3<=>c7h132-7+ch4 4.521e-01 3.65 7.154e+03 rev/ 5.591e-01 3.64 1.217e+04 / c7h14-2+ho2<=>c7h131-3+h2o2 9.639e+03 2.60 1.391e+04 rev/ 6.531e+06 1.84 1.514e+04 / c7h14-2+ho2<=>c7h132-4+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.615e+06 1.96 1.460e+04 / c7h14-2+ho2<=>c7h132-5+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.325e+02 2.62 4.652e+03 / c7h14-2+ho2<=>c7h132-6+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.325e+02 2.62 4.652e+03 / c7h14-2+ho2<=>c7h132-7+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.896e+04 2.21 4.726e+03 / c7h14-2+ch3o2<=>c7h131-3+ch3o2h 9.639e+03 2.60 1.391e+04 rev/ 1.360e+07 1.66 1.212e+04 / c7h14-2+ch3o2<=>c7h132-4+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.362e+06 1.79 1.158e+04 / c7h14-2+ch3o2<=>c7h132-5+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.525e+03 2.44 1.632e+03 / c7h14-2+ch3o2<=>c7h132-6+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.525e+03 2.44 1.632e+03 / c7h14-2+ch3o2<=>c7h132-7+ch3o2h 2.380e+04 2.55 1.649e+04 rev/ 6.030e+04 2.04 1.706e+03 / c7h14-2+ch3o<=>c7h131-3+ch3oh 9.000e+01 2.95 1.199e+04 rev/ 1.144e+03 2.54 2.780e+04 / c7h14-2+ch3o<=>c7h132-4+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.513e+02 2.66 2.726e+04 / c7h14-2+ch3o<=>c7h132-5+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.067e+08 0.37 9.891e+03 / c7h14-2+ch3o<=>c7h132-6+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.067e+08 0.37 9.891e+03 / c7h14-2+ch3o<=>c7h132-7+ch3oh 2.170e+11 0.00 6.458e+03 rev/ 4.953e+09 0.02 9.268e+03 / c7h14-3+h<=>c7h133-1+h2 6.651e+05 2.54 6.756e+03 rev/ 3.097e+04 2.53 1.126e+04 / c7h14-3+h<=>c7h132-4+h2 3.376e+05 2.36 2.070e+02 rev/ 3.276e+06 2.16 2.068e+04 / c7h14-3+h<=>c7h133-5+h2 3.376e+05 2.36 2.070e+02 rev/ 4.380e+06 2.10 2.056e+04 / c7h14-3+h<=>c7h133-6+h2 1.300e+06 2.40 4.471e+03 rev/ 3.916e+03 2.74 1.149e+04 / c7h14-3+h<=>c7h133-7+h2 6.651e+05 2.54 6.756e+03 rev/ 3.097e+04 2.53 1.126e+04 / c7h14-3 + oh<=>c7h133-1+h2o 1.054e+10 0.97 1.586e+03 rev/ 2.125e+09 0.96 2.124e+04 / c7h14-3 + oh<=>c7h132-4+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.161e+06 2.44 3.371e+04 / c7h14-3 + oh<=>c7h133-5+h2o 2.764e+04 2.64 -1.919e+03 rev/ 1.552e+06 2.38 3.359e+04 / c7h14-3 + oh<=>c7h133-6+h2o 4.670e+07 1.61 -3.500e+01 rev/ 6.091e+05 1.95 2.214e+04 / c7h14-3 + oh<=>c7h133-7+h2o 1.054e+10 0.97 1.586e+03 rev/ 2.125e+09 0.96 2.124e+04 / c7h14-3+ch3<=>c7h133-1+ch4 9.042e-01 3.65 7.154e+03 rev/ 1.100e+00 3.64 1.213e+04 / c7h14-3+ch3<=>c7h132-4+ch4 3.690e+00 3.31 4.002e+03 rev/ 9.355e+02 3.11 2.495e+04 / c7h14-3+ch3<=>c7h133-5+ch4 3.690e+00 3.31 4.002e+03 rev/ 1.251e+03 3.05 2.483e+04 / c7h14-3+ch3<=>c7h133-6+ch4 1.510e+00 3.46 5.481e+03 rev/ 1.188e-01 3.80 1.298e+04 / c7h14-3+ch3<=>c7h133-7+ch4 9.042e-01 3.65 7.154e+03 rev/ 1.100e+00 3.64 1.213e+04 / c7h14-3+ho2<=>c7h133-1+h2o2 4.760e+04 2.55 1.649e+04 rev/ 5.697e+04 2.22 4.686e+03 / c7h14-3+ho2<=>c7h132-4+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.202e+06 2.03 1.469e+04 / c7h14-3+ho2<=>c7h133-5+h2o2 4.820e+03 2.55 1.053e+04 rev/ 1.607e+06 1.96 1.457e+04 / c7h14-3+ho2<=>c7h133-6+h2o2 9.640e+03 2.60 1.391e+04 rev/ 7.464e+02 2.61 4.622e+03 / c7h14-3+ho2<=>c7h133-7+h2o2 4.760e+04 2.55 1.649e+04 rev/ 5.697e+04 2.22 4.686e+03 / c7h14-3+ch3o2<=>c7h133-1+ch3o2h 4.760e+04 2.55 1.649e+04 rev/ 1.186e+05 2.04 1.666e+03 / c7h14-3+ch3o2<=>c7h132-4+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 2.503e+06 1.85 1.167e+04 / c7h14-3+ch3o2<=>c7h133-5+ch3o2h 4.820e+03 2.55 1.053e+04 rev/ 3.346e+06 1.79 1.155e+04 / c7h14-3+ch3o2<=>c7h133-6+ch3o2h 9.640e+03 2.60 1.391e+04 rev/ 1.554e+03 2.44 1.602e+03 / c7h14-3+ch3o2<=>c7h133-7+ch3o2h 4.760e+04 2.55 1.649e+04 rev/ 1.186e+05 2.04 1.666e+03 / c7h14-3+ch3o<=>c7h133-1+ch3oh 4.340e+11 0.00 6.458e+03 rev/ 9.743e+09 0.02 9.228e+03 / c7h14-3+ch3o<=>c7h132-4+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 1.871e+02 2.73 2.735e+04 / c7h14-3+ch3o<=>c7h133-5+ch3oh 4.000e+01 2.90 8.609e+03 rev/ 2.502e+02 2.66 2.723e+04 / c7h14-3+ch3o<=>c7h133-6+ch3oh 1.450e+11 0.00 4.571e+03 rev/ 2.106e+08 0.37 9.861e+03 / c7h14-3+ch3o<=>c7h133-7+ch3oh 4.340e+11 0.00 6.458e+03 rev/ 9.743e+09 0.02 9.228e+03 / c7h131-3+ho2<=>c7h13o1-3 + oh 9.640e+12 0.00 0.000e+00 c7h131-3+ch3o2<=>c7h13o1-3+ch3o 9.640e+12 0.00 0.000e+00 c7h131-3+c2h5o2<=>c7h13o1-3+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 2.836e+14 -0.68 1.800e+04 / c7h131-3<=>c4h6+nc3h7 1.105e+19 -1.53 4.070e+04 rev/ 8.500e+10 0.00 8.300e+03 / c7h131-4<=>c5h10-1+c2h3 2.492e+12 0.03 3.730e+04 rev/ 8.500e+10 0.00 8.300e+03 / c7h131-4<=>c5h81-3+c2h5 2.289e+14 -0.68 2.205e+04 rev/ 8.500e+10 0.00 8.300e+03 / c7h131-5<=>c4h8-1+c3h5-a 6.177e+15 -1.18 1.798e+04 rev/ 5.000e+10 0.00 8.300e+03 / c7h131-6<=>c3h6+c4h71-4 1.238e+17 -1.17 3.074e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h131-7<=>c2h4+c5h91-5 9.416e+17 -1.56 3.118e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h132-4+ho2<=>c7h13o2-4 + oh 9.640e+12 0.00 0.000e+00 rev/ 4.273e+15 -1.02 1.543e+04 / c7h132-4+ch3o2<=>c7h13o2-4+ch3o 9.640e+12 0.00 0.000e+00 rev/ 4.173e+17 -1.59 2.019e+04 / c7h132-4+c2h5o2<=>c7h13o2-4+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 2.732e+14 -0.67 1.803e+04 / c7h132-5<=>c4h8-1+c3h5-s 9.419e+17 -1.49 4.426e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h132-6<=>c3h6+c4h71-3 2.189e+14 -0.74 1.774e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h132-7<=>c2h4+c5h92-5 9.786e+17 -1.57 3.116e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h133-1<=>c2h4+c5h91-1 1.007e+17 -1.32 4.399e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h133-5+ho2<=>c7h13o3-5 + oh 9.640e+12 0.00 0.000e+00 rev/ 1.182e+15 -0.84 1.527e+04 / c7h133-5+ch3o2<=>c7h13o3-5+ch3o 9.640e+12 0.00 0.000e+00 rev/ 1.155e+17 -1.42 2.003e+04 / c7h133-5+c2h5o2<=>c7h13o3-5+c2h5o 9.640e+12 0.00 0.000e+00 rev/ 7.559e+13 -0.50 1.787e+04 / c7h133-6<=>c3h6+c4h71-1 1.354e+16 -0.92 4.356e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h133-7<=>c2h4+c5h91-3 2.274e+15 -1.20 1.805e+04 rev/ 1.000e+11 0.00 8.300e+03 / c7h13o1-3<=>c2h3cho+pc4h9 9.625e+19 -1.96 1.085e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o1-3<=>nc4h9cho+c2h3 1.026e+18 -1.51 2.330e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o2-4<=>sc3h5cho+nc3h7 6.319e+19 -1.93 1.113e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o2-4<=>nc3h7cho+c3h5-s 1.012e+22 -2.46 2.919e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o3-5<=>c4h7cho1-1+c2h5 6.033e+18 -1.62 1.045e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h13o3-5<=>c2h5cho+c4h71-1 6.425e+21 -2.43 3.009e+04 rev/ 1.000e+11 0.00 9.600e+03 / c7h14-1 + oh<=>ch2o+c6h13-1 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-1 + oh<=>ch3cho+c5h11-1 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-2 + oh<=>ch3cho+c5h11-1 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-2 + oh<=>c2h5cho+pc4h9 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-3 + oh<=>c2h5cho+pc4h9 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-1+o<=>ch2cho+c5h11-1 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-2+o<=>ch3cho+c5h10-1 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-3+o<=>ch3cho+c5h10-1 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14-1<=>pc4h9+c3h5-a 3.170e+21 -1.62 7.533e+04 rev/ 1.000e+13 0.00 0.000e+00 / ! !henry hct ! c7h14-2<=>c4h71-3+nc3h7 3.735e+21 -1.74 7.571e+04 rev/ 1.000e+13 0.00 0.000e+00 / ! ! ! c7h14-3<=>c5h91-3+c2h5 5.947e+21 -1.85 7.579e+04 rev/ 1.000e+13 0.00 0.000e+00 / c7h15o2-1<=>c7h15-1 + o2 2.657e+20 -1.67 3.540e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h15o2-2<=>c7h15-2 + o2 1.357e+23 -2.36 3.767e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h15o2-3<=>c7h15-3 + o2 1.357e+23 -2.36 3.767e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h15o2-4<=>c7h15-4 + o2 1.357e+23 -2.36 3.767e+04 rev/ 7.540e+12 0.00 0.000e+00 / ! ! c7h15-1+c7h15o2-1<=>c7h15o-1+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 1.116e+14 -0.23 3.025e+04 / c7h15-1+c7h15o2-2<=>c7h15o-1+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 6.348e+13 -0.16 2.988e+04 / c7h15-1+c7h15o2-3<=>c7h15o-1+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 6.348e+13 -0.16 2.988e+04 / c7h15-1+c7h15o2-4<=>c7h15o-1+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 6.348e+13 -0.16 2.988e+04 / ! ! c7h15-2+c7h15o2-1<=>c7h15o-2+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.689e+15 -0.80 3.216e+04 / c7h15-2+c7h15o2-2<=>c7h15o-2+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-2+c7h15o2-3<=>c7h15o-2+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-2+c7h15o2-4<=>c7h15o-2+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-3+c7h15o2-1<=>c7h15o-3+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.689e+15 -0.80 3.216e+04 / c7h15-3+c7h15o2-2<=>c7h15o-3+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-3+c7h15o2-3<=>c7h15o-3+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-3+c7h15o2-4<=>c7h15o-3+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-4+c7h15o2-1<=>c7h15o-4+c7h15o-1 7.000e+12 0.00 -1.000e+03 rev/ 9.689e+15 -0.80 3.216e+04 / c7h15-4+c7h15o2-2<=>c7h15o-4+c7h15o-2 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-4+c7h15o2-3<=>c7h15o-4+c7h15o-3 7.000e+12 0.00 -1.000e+03 rev/ 5.510e+15 -0.73 3.179e+04 / c7h15-4+c7h15o2-4<=>c7h15o-4+c7h15o-4 7.000e+12 0.00 -1.000e+03 rev/ 5.511e+15 -0.73 3.179e+04 / ! ! ! c7h15-1+ho2<=>c7h15o-1 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.549e+15 -0.57 2.616e+04 / c7h15-2+ho2<=>c7h15o-2 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.081e+17 -1.15 2.807e+04 / c7h15-3+ho2<=>c7h15o-3 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.081e+17 -1.15 2.807e+04 / c7h15-4+ho2<=>c7h15o-4 + oh 7.000e+12 0.00 -1.000e+03 rev/ 3.081e+17 -1.15 2.807e+04 / ! c7h15-1+ch3o2<=>c7h15o-1+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 2.220e+14 -0.28 3.040e+04 / c7h15-2+ch3o2<=>c7h15o-2+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.927e+16 -0.85 3.231e+04 / c7h15-3+ch3o2<=>c7h15o-3+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.927e+16 -0.85 3.231e+04 / c7h15-4+ch3o2<=>c7h15o-4+ch3o 7.000e+12 0.00 -1.000e+03 rev/ 1.927e+16 -0.85 3.231e+04 / ! ! c7h15o2-1<=>c7h14-1+ho2 10.044e+38 -8.11 4.149e+04 !rev/ 9.291e+29 -6.22 2.086e+04 / c7h15o2-2<=>c7h14-1+ho2 10.075e+42 -9.41 4.249e+04 !rev/ 9.596e+32 -7.21 1.707e+04 / c7h15o2-2<=>c7h14-2+ho2 10.044e+38 -8.11 4.149e+04 !rev/ 4.708e+28 -5.74 1.894e+04 / c7h15o2-3<=>c7h14-2+ho2 10.044e+38 -8.11 4.149e+04 !rev/ 4.708e+28 -5.74 1.894e+04 / c7h15o2-3<=>c7h14-3+ho2 10.044e+38 -8.11 4.149e+04 !rev/ 6.323e+28 -5.80 1.885e+04 / c7h15o2-4<=>c7h14-3+ho2 2.009e+39 -8.11 4.249e+04 !rev/ 6.348e+28 -5.80 1.885e+04 / ! ! ! ! ! ! c7h15o2-1<=>c7h14ooh1-2 2.000e+11 0.00 2.645e+04 !rev/ 2.123e+10 -0.11 1.424e+04 / c7h15o2-1<=>c7h14ooh1-3 2.500e+10 0.00 2.045e+04 !rev/ 2.653e+09 -0.11 8.240e+03 / c7h15o2-1<=>c7h14ooh1-4 3.125e+09 0.00 1.865e+04 !rev/ 3.317e+08 -0.11 6.440e+03 / c7h15o2-1<=>c7h14ooh1-5 3.906e+08 0.00 2.165e+04 !rev/ 4.146e+07 -0.11 9.440e+03 / c7h15o2-2<=>c7h14ooh2-1 3.000e+11 0.00 2.900e+04 !rev/ 8.060e+11 -0.52 1.436e+04 / c7h15o2-2<=>c7h14ooh2-3 2.000e+11 0.00 2.645e+04 !1rev/ 2.262e+10 -0.11 1.427e+04 / c7h15o2-2<=>c7h14ooh2-4 2.500e+10 0.00 2.045e+04 !rev/ 2.827e+09 -0.11 8.270e+03 / c7h15o2-2<=>c7h14ooh2-5 3.125e+09 0.00 1.865e+04 !rev/ 3.534e+08 -0.11 6.470e+03 / c7h15o2-2<=>c7h14ooh2-6 3.906e+08 0.00 2.165e+04 !rev/ 4.417e+07 -0.11 9.470e+03 / c7h15o2-3<=>c7h14ooh3-1 3.750e+10 0.00 2.400e+04 !rev/ 1.008e+11 -0.52 9.360e+03 / c7h15o2-3<=>c7h14ooh3-2 2.000e+11 0.00 2.645e+04 !rev/ 2.262e+10 -0.11 1.427e+04 / c7h15o2-3<=>c7h14ooh3-4 2.000e+11 0.00 2.645e+04 !rev/ 2.262e+10 -0.11 1.427e+04 / c7h15o2-3<=>c7h14ooh3-5 2.500e+10 0.00 2.045e+04 !rev/ 2.827e+09 -0.11 8.270e+03 / c7h15o2-3<=>c7h14ooh3-6 3.125e+09 0.00 1.865e+04 !rev/ 3.534e+08 -0.11 6.470e+03 / c7h15o2-3<=>c7h14ooh3-7 5.860e+08 0.00 2.515e+04 !rev/ 1.574e+09 -0.52 1.051e+04 / c7h15o2-4<=>c7h14ooh4-1 9.376e+09 0.00 2.195e+04 !rev/ 2.518e+10 -0.52 7.310e+03 / c7h15o2-4<=>c7h14ooh4-2 5.000e+10 0.00 2.045e+04 !rev/ 5.655e+09 -0.11 8.270e+03 / c7h15o2-4<=>c7h14ooh4-3 4.000e+11 0.00 2.645e+04 !rev/ 4.524e+10 -0.11 1.427e+04 / ! ! ! ! ! c7h15o2-1+ho2<=>c7h15o2h-1 + o2 1.750e+10 0.00 -3.275e+03 rev/ 3.782e+13 -0.79 3.401e+04 / c7h15o2-2+ho2<=>c7h15o2h-2 + o2 1.750e+10 0.00 -3.275e+03 rev/ 4.496e+13 -0.82 3.404e+04 / c7h15o2-3+ho2<=>c7h15o2h-3 + o2 1.750e+10 0.00 -3.275e+03 rev/ 4.496e+13 -0.82 3.404e+04 / c7h15o2-4+ho2<=>c7h15o2h-4 + o2 1.750e+10 0.00 -3.275e+03 rev/ 4.497e+13 -0.82 3.404e+04 / h2o2+c7h15o2-1<=>ho2+c7h15o2h-1 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / h2o2+c7h15o2-2<=>ho2+c7h15o2h-2 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / h2o2+c7h15o2-3<=>ho2+c7h15o2h-3 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / h2o2+c7h15o2-4<=>ho2+c7h15o2h-4 2.400e+12 0.00 1.000e+04 rev/ 2.400e+12 0.00 1.000e+04 / c7h15o2-1+ch3o2<=>c7h15o-1+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+ch3o2<=>c7h15o-2+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-3+ch3o2<=>c7h15o-3+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-4+ch3o2<=>c7h15o-4+ch3o + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-1<=>o2+c7h15o-1+c7h15o-1 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-2<=>c7h15o-1+c7h15o-2 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-3<=>c7h15o-1+c7h15o-3 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-1+c7h15o2-4<=>c7h15o-1+c7h15o-4 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+c7h15o2-2<=>o2+c7h15o-2+c7h15o-2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+c7h15o2-3<=>c7h15o-2+c7h15o-3 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-2+c7h15o2-4<=>c7h15o-2+c7h15o-4 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-3+c7h15o2-3<=>o2+c7h15o-3+c7h15o-3 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-3+c7h15o2-4<=>c7h15o-3+c7h15o-4 + o2 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2-4+c7h15o2-4<=>o2+c7h15o-4+c7h15o-4 1.400e+16 -1.61 1.860e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h15o2h-1<=>c7h15o-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 1.989e+07 1.93 -6.522e+03 / c7h15o2h-2<=>c7h15o-2 + oh 1.000e+16 0.00 3.900e+04 rev/ 9.517e+06 2.03 -6.922e+03 / c7h15o2h-3<=>c7h15o-3 + oh 1.000e+16 0.00 3.900e+04 rev/ 9.517e+06 2.03 -6.922e+03 / c7h15o2h-4<=>c7h15o-4 + oh 1.000e+16 0.00 3.900e+04 rev/ 9.516e+06 2.03 -6.922e+03 / ! !hct henry ! c7h15o-1<=>ch2o+c6h13-1 6.023e+20 -2.18 2.483e+04 rev/ 1.000e+11 0.00 1.190e+04 / c7h15o-2<=>ch3cho+c5h11-1 1.475e+22 -2.55 2.037e+04 rev/ 1.000e+11 0.00 1.290e+04 / c7h15o-3<=>c2h5cho+pc4h9 6.573e+17 -1.16 1.937e+04 rev/ 1.000e+11 0.00 1.290e+04 / c7h15o-4<=>nc3h7cho+nc3h7 4.769e+22 -2.58 2.182e+04 rev/ 1.000e+11 0.00 1.290e+04 / ! ! ! c7h14-1+ho2=c7h14ooh1-2 2.50e+03 2.500 1.12e+04 !!!!!bozzelli mm c7h14-1+ho2=c7h14ooh2-1 2.70e+03 2.500 1.05e+04 c7h14-2+ho2=c7h14ooh2-3 2.70e+03 2.500 1.05e+04 c7h14-2+ho2=c7h14ooh3-2 2.70e+03 2.500 1.05e+04 c7h14-3+ho2=c7h14ooh3-4 2.70e+03 2.500 1.05e+04 c7h14-3+ho2=c7h14ooh4-3 2.70e+03 2.500 1.05e+04 ! ! ! ! !c7h14ooh1-2<=>c7h14-1+ho2 5.762e+18 -2.00 1.802e+04 !rev/ 1.000e+11 0.00 1.100e+04 / !c7h14ooh2-1<=>c7h14-1+ho2 1.421e+21 -2.72 2.038e+04 !rev/ 1.000e+11 0.00 1.100e+04 / !c7h14ooh2-3<=>c7h14-2+ho2 1.212e+20 -2.48 2.072e+04 !rev/ 1.000e+11 0.00 1.175e+04 / !c7h14ooh3-2<=>c7h14-2+ho2 1.212e+20 -2.48 2.072e+04 !rev/ 1.000e+11 0.00 1.175e+04 / !c7h14ooh3-4<=>c7h14-3+ho2 9.021e+19 -2.42 2.006e+04 !rev/ 1.000e+11 0.00 1.100e+04 / !c7h14ooh4-3<=>c7h14-3+ho2 1.798e+20 -2.42 2.006e+04 !rev/ 1.000e+11 0.00 1.100e+04 / ! ! ! ! ! ! c7h14ooh1-2<=>c7h14o1-2 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-3<=>c7h14o1-3 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-4<=>c7h14o1-4 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-5<=>c7h14o1-5 + oh 1.172e+09 0.00 1.800e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-1<=>c7h14o1-2 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-3<=>c7h14o2-3 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-4<=>c7h14o2-4 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-5<=>c7h14o2-5 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-6<=>c7h14o2-6 + oh 1.172e+09 0.00 1.800e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-1<=>c7h14o1-3 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-2<=>c7h14o2-3 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-4<=>c7h14o3-4 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-5<=>c7h14o3-5 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-6<=>c7h14o2-5 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-7<=>c7h14o1-5 + oh 1.172e+09 0.00 1.800e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh4-1<=>c7h14o1-4 + oh 9.375e+09 0.00 7.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh4-2<=>c7h14o2-4 + oh 7.500e+10 0.00 1.525e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh4-3<=>c7h14o3-4 + oh 6.000e+11 0.00 2.200e+04 rev/ 0.000e+00 0.00 0.000e+00 / ! !henry hct ! c7h14ooh1-3<=>oh+ch2o+c6h12-1 2.147e+09 1.23 3.037e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh2-4<=>oh+ch3cho+c5h10-1 1.548e+12 0.59 3.009e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-1<=>oh+nc4h9cho+c2h4 8.182e+13 -0.13 3.133e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh3-5<=>oh+c2h5cho+c4h8-1 2.661e+13 0.13 3.043e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh4-2<=>oh+nc3h7cho+c3h6 6.186e+13 0.09 3.084e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-3<=>c4h7ooh1-4+nc3h7 1.609e+12 0.54 2.774e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh1-4<=>c5h10-1+c2h4+ho2 1.446e+11 0.69 3.082e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14ooh1-4<=>c5h9ooh1-5+c2h5 1.721e+12 0.51 2.790e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh2-4<=>c5h9ooh1-4+c2h5 4.080e+12 0.32 2.923e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh2-5<=>c4h8-1+c3h6ooh2-1 6.856e+13 0.03 3.138e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh2-5<=>c6h11ooh1-5+ch3 7.417e+10 0.75 3.026e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh3-5<=>c6h11ooh1-4+ch3 7.417e+10 0.75 3.026e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh3-6<=>c4h8ooh2-1+c3h6 4.578e+11 0.60 2.917e+04 rev/ 2.200e+03 2.48 6.130e+03 / c7h14ooh4-1<=>c5h10ooh2-1+c2h4 1.643e+12 0.44 2.932e+04 rev/ 2.200e+03 2.48 6.130e+03 / ! ! ! c7h14ooh1-2o2<=>c7h14ooh1-2 + o2 1.367e+23 -2.37 3.764e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh1-3o2<=>c7h14ooh1-3 + o2 1.367e+23 -2.37 3.764e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh1-4o2<=>c7h14ooh1-4 + o2 1.367e+23 -2.37 3.764e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh1-5o2<=>c7h14ooh1-5 + o2 1.367e+23 -2.37 3.764e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh2-1o2<=>c7h14ooh2-1 + o2 3.323e+20 -1.65 3.528e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h14ooh2-3o2<=>c7h14ooh2-3 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh2-4o2<=>c7h14ooh2-4 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh2-5o2<=>c7h14ooh2-5 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh2-6o2<=>c7h14ooh2-6 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-1o2<=>c7h14ooh3-1 + o2 3.323e+20 -1.65 3.528e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h14ooh3-2o2<=>c7h14ooh3-2 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-4o2<=>c7h14ooh3-4 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-5o2<=>c7h14ooh3-5 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-6o2<=>c7h14ooh3-6 + o2 1.389e+23 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh3-7o2<=>c7h14ooh3-7 + o2 3.323e+20 -1.65 3.528e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h14ooh4-1o2<=>c7h14ooh4-1 + o2 1.668e+20 -1.65 3.528e+04 rev/ 4.520e+12 0.00 0.000e+00 / c7h14ooh4-2o2<=>c7h14ooh4-2 + o2 6.969e+22 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / c7h14ooh4-3o2<=>c7h14ooh4-3 + o2 6.969e+22 -2.38 3.760e+04 rev/ 7.540e+12 0.00 0.000e+00 / ! ! ! ! ! ! c7h14ooh1-2o2<=>nc7ket12 + oh 2.000e+11 0.00 2.600e+04 !rev/ 2.881e+04 1.40 4.683e+04 / c7h14ooh1-3o2<=>nc7ket13 + oh 2.500e+10 0.00 2.100e+04 !rev/ 6.874e+02 1.60 4.508e+04 / c7h14ooh1-4o2<=>nc7ket14 + oh 3.125e+09 0.00 1.895e+04 !rev/ 8.593e+01 1.60 4.303e+04 / c7h14ooh1-5o2<=>nc7ket15 + oh 3.906e+08 0.00 2.215e+04 !rev/ 1.074e+01 1.60 4.623e+04 / c7h14ooh2-1o2<=>nc7ket21 + oh 1.000e+11 0.00 2.345e+04 !rev/ 2.453e+03 1.59 4.739e+04 / c7h14ooh2-3o2<=>nc7ket23 + oh 1.000e+11 0.00 2.345e+04 !rev/ 1.798e+03 1.79 4.703e+04 / c7h14ooh2-4o2<=>nc7ket24 + oh 1.250e+10 0.00 1.745e+04 !rev/ 3.361e+01 2.02 4.424e+04 / c7h14ooh2-5o2<=>nc7ket25 + oh 1.563e+09 0.00 1.565e+04 !rev/ 4.202e+00 2.02 4.244e+04 / c7h14ooh2-6o2<=>nc7ket26 + oh 1.953e+08 0.00 1.865e+04 !rev/ 5.251e-01 2.02 4.544e+04 / c7h14ooh3-1o2<=>nc7ket31 + oh 1.250e+10 0.00 1.745e+04 !rev/ 4.250e+01 1.94 4.456e+04 / c7h14ooh3-2o2<=>nc7ket32 + oh 1.000e+11 0.00 2.345e+04 !rev/ 1.220e+03 1.81 4.729e+04 / c7h14ooh3-4o2<=>nc7ket34 + oh 1.000e+11 0.00 2.345e+04 !rev/ 1.220e+03 1.81 4.729e+04 / c7h14ooh3-5o2<=>nc7ket35 + oh 1.250e+10 0.00 1.745e+04 !rev/ 3.361e+01 2.02 4.424e+04 / c7h14ooh3-6o2<=>nc7ket36 + oh 1.563e+09 0.00 1.565e+04 !rev/ 4.202e+00 2.02 4.244e+04 / c7h14ooh3-7o2<=>nc7ket37 + oh 1.953e+08 0.00 1.865e+04 !rev/ 6.640e-01 1.94 4.576e+04 / c7h14ooh4-1o2<=>nc7ket41 + oh 1.563e+09 0.00 1.565e+04 !rev/ 5.314e+00 1.94 4.276e+04 / c7h14ooh4-2o2<=>nc7ket42 + oh 1.250e+10 0.00 1.745e+04 !rev/ 3.361e+01 2.02 4.424e+04 / c7h14ooh4-3o2<=>nc7ket43 + oh 1.000e+11 0.00 2.345e+04 !rev/ 1.220e+03 1.81 4.729e+04 / ! ! ! ! ! ! ! nc7ket12<=>nc5h11cho+hco + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket13<=>nc4h9cho+ch2cho + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket14<=>nc3h7cho+ch2ch2cho + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket15<=>c2h5cho+c3h6cho-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket21<=>ch2o+nc5h11co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket23<=>nc4h9cho+ch3co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket24<=>nc3h7cho+ch3coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket25<=>c2h5cho+ch2ch2coch3 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket26<=>ch3cho+c3h6coch3-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket31<=>ch2o+nc4h9coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket32<=>ch3cho+nc4h9co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket34<=>nc3h7cho+c2h5co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket35<=>c2h5cho+c2h5coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket36<=>ch3cho+c2h5coc2h4p + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket37<=>ch2o+c3h6coc2h5-1 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket41<=>ch2o+nc3h7coc2h4p + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket42<=>ch3cho+nc3h7coch2 + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc7ket43<=>c2h5cho+nc3h7co + oh 1.000e+16 0.00 3.900e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-2 + oh<=>pc4h9+c2h3cho+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3 + oh<=>c6h12-1+hco+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4 + oh<=>c5h10-1+ch2cho+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-5 + oh<=>c4h8-1+ch2ch2cho+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-3 + oh<=>c2h3coch3+nc3h7+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4 + oh<=>ch3co+c5h10-1+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5 + oh<=>ch3coch2+c4h8-1+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-6 + oh<=>ch2ch2coch3+c3h6+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-4 + oh<=>c2h5coc2h3+c2h5+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5 + oh<=>c2h5co+c4h8-1+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-2 + oh<=>ch2co+c5h11-1+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3 + oh<=>c2h4+nc4h9co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4 + oh<=>c2h4+nc3h7coch2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-5 + oh<=>c2h4+c2h5coc2h4p+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-3 + oh<=>ch3chco+pc4h9+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4 + oh<=>c3h6+nc3h7co+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5 + oh<=>c3h6+c2h5coch2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-6 + oh<=>ch3cho+c5h91-4+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-4 + oh<=>c2h5chco+nc3h7+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5 + oh<=>c2h5cho+c4h71-2+h2o 2.500e+12 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-2+ho2<=>pc4h9+c2h3cho+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3+ho2<=>c6h12-1+hco+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4+ho2<=>c5h10-1+ch2cho+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-5+ho2<=>c4h8-1+ch2ch2cho+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-3+ho2<=>c2h3coch3+nc3h7+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4+ho2<=>ch3co+c5h10-1+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5+ho2<=>ch3coch2+c4h8-1+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-6+ho2<=>ch2ch2coch3+c3h6+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-4+ho2<=>c2h5coc2h3+c2h5+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5+ho2<=>c2h5co+c4h8-1+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-2+ho2<=>ch2co+c5h11-1+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-3+ho2<=>c2h4+nc4h9co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-4+ho2<=>c2h4+nc3h7coch2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o1-5+ho2<=>c2h4+c2h5coc2h4p+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-3+ho2<=>ch3chco+pc4h9+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-4+ho2<=>c3h6+nc3h7co+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-5+ho2<=>c3h6+c2h5coch2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o2-6+ho2<=>ch3cho+c5h91-4+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-4+ho2<=>c2h5chco+nc3h7+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14o3-5+ho2<=>c2h5cho+c4h71-2+h2o2 5.000e+12 0.00 1.770e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14oh-1<=>c7h14-1 + oh 5.430e+14 -0.53 2.783e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c7h14oh-1<=>c7h14oh-1 + o2 2.983e+21 -1.98 3.782e+04 rev/ 2.000e+12 0.00 0.000e+00 / o2c7h14oh-1<=>nc5h11cho+ch2o + oh 2.500e+10 0.00 1.886e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14oh-2<=>c7h14-2 + oh 1.044e+16 -1.00 2.940e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c7h14oh-2<=>c7h14oh-2 + o2 4.775e+21 -2.06 3.786e+04 rev/ 2.000e+12 0.00 0.000e+00 / o2c7h14oh-1<=>nc4h9cho+ch3cho + oh 2.500e+10 0.00 1.886e+04 rev/ 0.000e+00 0.00 0.000e+00 / c7h14oh-3<=>c7h14-3 + oh 7.773e+15 -0.93 2.949e+04 rev/ 1.000e+12 0.00 -1.042e+03 / o2c7h14oh-3<=>c7h14oh-3 + o2 4.775e+21 -2.06 3.786e+04 rev/ 2.000e+12 0.00 0.000e+00 / o2c7h14oh-3<=>nc3h7cho+c2h5cho + oh 2.500e+10 0.00 1.886e+04 rev/ 0.000e+00 0.00 0.000e+00 / nc5h11cho + o2<=>nc5h11co+ho2 2.000e+13 0.50 4.220e+04 rev/ 1.000e+07 0.00 4.000e+04 / nc5h11cho + oh<=>nc5h11co+h2o 2.690e+10 0.76 -3.400e+02 rev/ 1.740e+10 0.76 3.120e+04 / nc5h11cho+h<=>nc5h11co+h2 4.000e+13 0.00 4.200e+03 rev/ 1.800e+13 0.00 2.400e+04 / nc5h11cho+o<=>nc5h11co + oh 5.000e+12 0.00 1.790e+03 rev/ 1.000e+12 0.00 1.900e+04 / nc5h11cho+ho2<=>nc5h11co+h2o2 2.800e+12 0.00 1.360e+04 rev/ 1.000e+12 0.00 1.000e+04 / nc5h11cho+ch3<=>nc5h11co+ch4 1.700e+12 0.00 8.440e+03 rev/ 1.500e+13 0.00 2.800e+04 / nc5h11cho+ch3o<=>nc5h11co+ch3oh 1.150e+11 0.00 1.280e+03 rev/ 3.000e+11 0.00 1.800e+04 / nc5h11cho+ch3o2<=>nc5h11co+ch3o2h 1.000e+12 0.00 9.500e+03 rev/ 2.500e+10 0.00 1.000e+04 / nc5h11cho + oh<=>c5h10cho-1+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.071e+09 0.96 2.101e+04 / nc5h11cho + oh<=>c5h10cho-2+h2o 4.670e+07 1.61 -3.500e+01 rev/ 1.752e+06 1.85 2.388e+04 / nc5h11cho + oh<=>c5h10cho-3+h2o 4.670e+07 1.61 -3.500e+01 rev/ 1.752e+06 1.85 2.388e+04 / nc5h11cho + oh<=>c5h10cho-4+h2o 4.670e+07 1.61 -3.500e+01 rev/ 1.752e+06 1.85 2.388e+04 / nc5h11cho + oh<=>c5h10cho-5+h2o 4.670e+07 1.61 -3.500e+01 rev/ 3.317e+09 1.25 3.084e+04 / nc5h11co<=>c5h11-1+co 1.000e+11 0.00 9.600e+03 rev/ 1.000e+11 0.00 0.000e+00 / nc5h11cho+ho2<=>c5h10cho-1+h2o2 2.760e+04 2.55 1.648e+04 rev/ 3.330e+04 2.22 4.442e+03 / nc5h11cho+ho2<=>c5h10cho-2+h2o2 1.475e+04 2.60 1.391e+04 rev/ 3.285e+03 2.51 6.362e+03 / nc5h11cho+ho2<=>c5h10cho-3+h2o2 1.475e+04 2.60 1.391e+04 rev/ 3.285e+03 2.51 6.362e+03 / nc5h11cho+ho2<=>c5h10cho-4+h2o2 1.475e+04 2.60 1.391e+04 rev/ 3.285e+03 2.51 6.362e+03 / nc5h11cho+ho2<=>c5h10cho-5+h2o2 2.950e+04 2.60 1.391e+04 rev/ 1.244e+07 1.91 1.332e+04 / nc5h11cho+ch3o2<=>c5h10cho-1+ch3o2h 6.030e+12 0.00 1.938e+04 rev/ 2.990e+13 -0.51 6.617e+03 / nc5h11cho+ch3o2<=>c5h10cho-2+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.821e+12 -0.26 8.784e+03 / nc5h11cho+ch3o2<=>c5h10cho-3+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.821e+12 -0.26 8.784e+03 / nc5h11cho+ch3o2<=>c5h10cho-4+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.821e+12 -0.26 8.784e+03 / nc5h11cho+ch3o2<=>c5h10cho-5+ch3o2h 3.980e+12 0.00 1.705e+04 rev/ 6.897e+15 -0.86 1.574e+04 / c5h10cho-1<=>c2h4+c3h6cho-1 2.680e+18 -1.58 3.041e+04 rev/ 2.500e+11 0.00 7.800e+03 / c5h10cho-2<=>c3h6+ch2ch2cho 9.380e+17 -1.31 3.197e+04 rev/ 1.000e+11 0.00 7.800e+03 / c5h10cho-3<=>c4h8-1+ch2cho 6.270e+16 -1.43 2.599e+04 rev/ 1.000e+11 0.00 7.800e+03 / c5h10cho-3<=>c4h7cho1-4+ch3 2.373e+14 -0.56 3.132e+04 rev/ 1.000e+11 0.00 7.800e+03 / c5h10cho-4<=>ac3h5cho+c2h5 7.188e+17 -1.37 3.323e+04 rev/ 1.000e+11 0.00 7.800e+03 / c5h10cho-4<=>c5h10-1+hco 1.057e+14 -0.41 2.633e+04 rev/ 1.000e+11 0.00 7.800e+03 / c5h10cho-5<=>c2h3cho+nc3h7 1.564e+19 -1.53 3.331e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h7cho1-4 + oh<=>c4h7co1-4+h2o 3.370e+12 0.00 -6.160e+02 rev/ 2.398e+12 -0.02 3.094e+04 / c4h7cho1-4 + oh<=>c4h6cho1-43+h2o 2.080e+06 2.00 -2.980e+02 rev/ 1.187e+08 1.74 3.498e+04 / c4h7cho1-4 + oh<=>c4h6cho1-44+h2o 4.670e+07 1.61 -3.500e+01 rev/ 1.502e+09 1.31 2.890e+04 / c4h7cho1-4 + oh<=>ch3cho+ch2ch2cho 1.000e+11 0.00 0.000e+00 rev/ 5.344e+06 0.97 1.926e+04 / c4h7cho1-4+ho2<=>c4h7co1-4+h2o2 1.000e+12 0.00 1.192e+04 rev/ 4.225e+12 -0.35 1.201e+04 / c4h7cho1-4+ho2<=>c4h6cho1-43+h2o2 9.640e+03 2.60 1.391e+04 rev/ 3.265e+06 2.01 1.773e+04 / c4h7cho1-4+ho2<=>c4h6cho1-44+h2o2 1.475e+04 2.60 1.391e+04 rev/ 2.815e+06 1.97 1.138e+04 / c4h7cho1-4+ch3o2<=>c4h7co1-4+ch3o2h 2.800e+12 0.00 1.360e+04 rev/ 4.861e+13 -0.52 1.297e+04 / c4h7cho1-4+ch3o2<=>c4h6cho1-43+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 2.770e+15 -0.77 2.015e+04 / c4h7cho1-4+ch3o2<=>c4h6cho1-44+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.561e+15 -0.80 1.380e+04 / c4h7co1-4<=>c4h71-4+co 7.372e+18 -1.76 1.523e+04 rev/ 1.500e+11 0.00 4.810e+03 / c4h6cho1-43<=>c4h6+hco 4.834e+15 -0.79 3.354e+04 rev/ 1.000e+11 0.00 7.800e+03 / c4h6cho1-44<=>c2h3cho+c2h3 2.118e+14 -0.39 3.716e+04 rev/ 1.000e+11 0.00 7.800e+03 / nc4h9coch3 + oh<=>c4h8coch3-1+h2o 2.065e+07 1.73 7.530e+02 rev/ 4.278e+06 1.72 2.019e+04 / nc4h9coch3 + oh<=>c4h8coch3-2+h2o 3.615e+07 1.64 -2.470e+02 rev/ 3.070e+05 2.04 2.163e+04 / nc4h9coch3 + oh<=>c4h8coch3-3+h2o 3.615e+07 1.64 -2.470e+02 rev/ 3.070e+05 2.04 2.163e+04 / nc4h9coch3 + oh<=>c4h8coch3-4+h2o 8.450e+11 0.00 -2.280e+02 rev/ 1.633e+13 -0.23 2.864e+04 / nc4h9coch3 + oh<=>nc4h9coch2+h2o 5.100e+11 0.00 1.192e+03 rev/ 6.786e+13 -0.70 2.768e+04 / nc4h9coch3+ho2<=>c4h8coch3-1+h2o2 2.380e+04 2.55 1.649e+04 rev/ 2.927e+04 2.21 4.462e+03 / nc4h9coch3+ho2<=>c4h8coch3-2+h2o2 5.600e+12 0.00 1.770e+04 rev/ 2.823e+11 0.07 8.112e+03 / nc4h9coch3+ho2<=>c4h8coch3-3+h2o2 5.600e+12 0.00 1.770e+04 rev/ 2.823e+11 0.07 8.112e+03 / nc4h9coch3+ho2<=>c4h8coch3-4+h2o2 2.000e+11 0.00 8.698e+03 rev/ 2.294e+13 -0.56 6.100e+03 / nc4h9coch3+ho2<=>nc4h9coch2+h2o2 2.380e+04 2.55 1.469e+04 rev/ 1.880e+07 1.52 9.712e+03 / nc4h9coch3+ch3o2<=>c4h8coch3-1+ch3o2h 3.010e+12 0.00 1.938e+04 rev/ 1.521e+13 -0.51 6.627e+03 / nc4h9coch3+ch3o2<=>c4h8coch3-2+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 4.123e+11 -0.11 6.744e+03 / nc4h9coch3+ch3o2<=>c4h8coch3-3+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 4.123e+11 -0.11 6.744e+03 / nc4h9coch3+ch3o2<=>c4h8coch3-4+ch3o2h 2.000e+12 0.00 1.525e+04 rev/ 9.429e+14 -0.73 1.193e+04 / nc4h9coch3+ch3o2<=>nc4h9coch2+ch3o2h 3.010e+12 0.00 1.758e+04 rev/ 9.770e+15 -1.21 1.188e+04 / c4h8coch3-1<=>ch2ch2coch3+c2h4 1.133e+18 -1.59 3.091e+04 rev/ 1.000e+11 0.00 8.300e+03 / c4h8coch3-2<=>c3h6+ch3coch2 3.175e+15 -0.79 2.622e+04 rev/ 1.000e+11 0.00 8.300e+03 / c4h8coch3-3<=>c4h8-1+ch3co 1.714e+18 -1.61 2.825e+04 rev/ 1.000e+11 0.00 9.800e+03 / c4h8coch3-4<=>c2h3coch3+c2h5 4.691e+19 -1.61 3.375e+04 rev/ 1.000e+11 0.00 8.300e+03 / nc4h9coch2<=>pc4h9+ch2co 1.554e+18 -1.41 4.314e+04 rev/ 1.000e+11 0.00 1.160e+04 / c4h7ooh1-4<=>c4h7o1-4 + oh 2.021e+20 -1.53 4.704e+04 rev/ 2.000e+13 0.00 0.000e+00 / c5h9ooh1-4<=>c5h9o1-4 + oh 1.178e+20 -1.38 4.605e+04 rev/ 2.000e+13 0.00 0.000e+00 / c5h9ooh1-5<=>c5h9o1-5 + oh 1.594e+20 -1.50 4.699e+04 rev/ 2.000e+13 0.00 0.000e+00 / c6h11ooh1-4<=>c6h11o1-4 + oh 1.234e+20 -1.39 4.605e+04 rev/ 2.000e+13 0.00 0.000e+00 / c6h11ooh1-5<=>c6h11o1-5 + oh 1.234e+20 -1.39 4.605e+04 rev/ 2.000e+13 0.00 0.000e+00 / c4h7o1-4<=>ch2o+c3h5-a 2.412e+16 -1.14 7.550e+03 rev/ 1.000e+11 0.00 1.190e+04 / c5h9o1-4<=>ch3cho+c3h5-a 7.715e+20 -2.43 5.890e+03 rev/ 5.000e+10 0.00 9.600e+03 / c5h9o1-4<=>ac3h5cho+ch3 1.112e+17 -1.21 1.796e+04 rev/ 1.000e+11 0.00 9.600e+03 / c5h9o1-5<=>ch2o+c4h71-4 4.310e+17 -1.33 1.794e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o1-4<=>ac3h5cho+c2h5 7.268e+20 -2.10 1.887e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o1-4<=>c2h5cho+c3h5-a 1.211e+21 -2.46 5.641e+03 rev/ 5.000e+10 0.00 9.600e+03 / c6h11o1-5<=>c4h7cho1-4+ch3 2.399e+17 -1.30 1.696e+04 rev/ 1.000e+11 0.00 9.600e+03 / c6h11o1-5<=>ch3cho+c4h71-4 1.999e+22 -2.58 1.853e+04 rev/ 1.000e+11 0.00 9.600e+03 / c5h91-1<=>c2h2+nc3h7 2.755e+15 -0.67 3.080e+04 rev/ 2.000e+11 0.00 7.800e+03 / c4h7cho1-1 + oh<=>c4h7co1-1+h2o 3.370e+12 0.00 -6.160e+02 rev/ 5.203e+12 0.03 3.680e+04 / c4h7cho1-1 + oh<=>c4h6cho1-14+h2o 5.270e+09 0.97 1.586e+03 rev/ 1.067e+09 0.96 2.102e+04 / c4h7cho1-1 + oh<=>c4h6cho1-13+h2o 3.120e+06 2.00 -2.980e+02 rev/ 1.251e+08 1.79 3.493e+04 / c4h7cho1-1 + oh<=>c2h5cho+ch2cho 1.000e+11 0.00 0.000e+00 rev/ 1.076e+07 1.10 1.702e+04 / c4h7cho1-1+ho2<=>c4h7co1-1+h2o2 1.000e+12 0.00 1.192e+04 rev/ 9.165e+12 -0.30 1.787e+04 / c4h7cho1-1+ho2<=>c4h6cho1-14+h2o2 2.760e+04 2.55 1.648e+04 rev/ 3.317e+04 2.22 4.452e+03 / c4h7cho1-1+ho2<=>c4h6cho1-13+h2o2 9.640e+03 2.60 1.391e+04 rev/ 2.295e+06 2.06 1.768e+04 / c4h7cho1-1+ch3o2<=>c4h7co1-1+ch3o2h 2.800e+12 0.00 1.360e+04 rev/ 1.055e+14 -0.47 1.883e+04 / c4h7cho1-1+ch3o2<=>c4h6cho1-14+ch3o2h 6.030e+12 0.00 1.938e+04 rev/ 2.978e+13 -0.51 6.627e+03 / c4h7cho1-1+ch3o2<=>c4h6cho1-13+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 1.947e+15 -0.72 2.010e+04 / c4h7co1-1<=>c4h71-1+co 8.510e+20 -2.12 4.032e+04 rev/ 1.500e+11 0.00 4.810e+03 / c4h6cho1-14<=>c2h4+chchcho 9.050e+16 -1.33 4.687e+04 rev/ 8.000e+10 0.00 1.140e+04 / c4h6cho1-13<=>c4h6+hco 8.954e+17 -1.28 4.623e+04 rev/ 8.000e+10 0.00 1.140e+04 / nc3h7coc2h5 + oh<=>c3h6coc2h5-1+h2o 2.065e+07 1.73 7.530e+02 rev/ 5.173e+06 1.70 2.022e+04 / nc3h7coc2h5 + oh<=>c3h6coc2h5-2+h2o 3.615e+07 1.64 -2.470e+02 rev/ 7.233e+05 1.92 2.176e+04 / nc3h7coc2h5 + oh<=>c3h6coc2h5-3+h2o 8.450e+11 0.00 -2.280e+02 rev/ 3.313e+13 -0.32 2.874e+04 / nc3h7coc2h5 + oh<=>nc3h7coc2h4p+h2o 5.100e+11 0.00 1.192e+03 rev/ 1.278e+11 -0.03 2.066e+04 / nc3h7coc2h5 + oh<=>nc3h7coc2h4s+h2o 8.450e+11 0.00 -2.280e+02 rev/ 3.313e+13 -0.32 2.874e+04 / nc3h7coc2h5+ho2<=>c3h6coc2h5-1+h2o2 2.380e+04 2.55 1.649e+04 rev/ 3.539e+04 2.19 4.492e+03 / nc3h7coc2h5+ho2<=>c3h6coc2h5-2+h2o2 5.600e+12 0.00 1.770e+04 rev/ 6.652e+11 -0.05 8.242e+03 / nc3h7coc2h5+ho2<=>c3h6coc2h5-3+h2o2 2.000e+11 0.00 8.698e+03 rev/ 4.654e+13 -0.65 6.200e+03 / nc3h7coc2h5+ho2<=>nc3h7coc2h4p+h2o2 2.380e+04 2.55 1.469e+04 rev/ 3.539e+04 2.19 2.692e+03 / nc3h7coc2h5+ho2<=>nc3h7coc2h4s+h2o2 2.000e+11 0.00 8.698e+03 rev/ 4.654e+13 -0.65 6.200e+03 / nc3h7coc2h5+ch3o2<=>c3h6coc2h5-1+ch3o2h 3.010e+12 0.00 1.938e+04 rev/ 1.839e+13 -0.54 6.657e+03 / nc3h7coc2h5+ch3o2<=>c3h6coc2h5-2+ch3o2h 1.990e+12 0.00 1.705e+04 rev/ 9.713e+11 -0.22 6.874e+03 / nc3h7coc2h5+ch3o2<=>c3h6coc2h5-3+ch3o2h 2.000e+12 0.00 1.525e+04 rev/ 1.913e+15 -0.83 1.203e+04 / nc3h7coc2h5+ch3o2<=>nc3h7coc2h4p+ch3o2h 3.010e+12 0.00 1.758e+04 rev/ 1.839e+13 -0.54 4.862e+03 / nc3h7coc2h5+ch3o2<=>nc3h7coc2h4s+ch3o2h 2.000e+12 0.00 1.525e+04 rev/ 1.913e+15 -0.83 1.203e+04 / c3h6coc2h5-1<=>c2h4+c2h5coch2 2.218e+15 -0.84 2.359e+04 rev/ 2.500e+11 0.00 7.800e+03 / c3h6coc2h5-2<=>c3h6+c2h5co 4.051e+16 -1.11 2.615e+04 rev/ 1.000e+11 0.00 8.300e+03 / c3h6coc2h5-3<=>c2h5coc2h3+ch3 2.915e+15 -0.68 3.230e+04 rev/ 1.000e+11 0.00 7.800e+03 / nc3h7coc2h4p<=>nc3h7co+c2h4 5.398e+17 -1.45 2.604e+04 rev/ 2.500e+11 0.00 7.800e+03 / nc3h7coc2h4s<=>ch3chco+nc3h7 1.973e+19 -1.49 4.286e+04 rev/ 1.000e+11 0.00 1.060e+04 / chchcho + oh<=>ch2cho+hco 1.000e+12 0.00 0.000e+00 rev/ 2.719e+11 0.29 3.620e+04 / ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! hexene module ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! o2+c6h12-1=>ch2o+nc4h9cho .1000e+15 .000 37000.0 ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 1 initiations ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! c6h12-1<=>c3h6+c3h6 4.000e+12 0.00 5.800e+04 !! ! ! ! !c6h12-1<=>nc3h7+c3h5-a 2.500e+16 0.00 7.100e+04 c6h111-3+h<=>c6h12-1 1.000e+14 0.00 0.000e+00 c5h91-5+ch3<=>c6h12-1 1.000e+13 0.00 0.000e+00 pc4h9+c2h3<=>c6h12-1 1.000e+13 0.00 0.000e+00 !!1988ts-887 c4h71-4+c2h5<=>c6h12-1 8.000e+12 0.00 0.000e+00 ! ! c6h111-3+h<=>c6h12-2 1.000e+14 0.00 0.000e+00 c6h112-4+h<=>c6h12-2 1.000e+14 0.00 0.000e+00 c5h92-5+ch3<=>c6h12-2 1.000e+13 0.00 0.000e+00 nc3h7+c3h5-t<=>c6h12-2 1.000e+13 0.00 0.000e+00 ! ! c6h112-4+h<=>c6h12-3 1.000e+14 0.00 0.000e+00 c4h71-1+c2h5<=>c6h12-3 1.000e+13 0.00 0.000e+00 ! ! ! !added... mm ! ! c6h12-1 + o2<=>c6h111-3+ho2 2.200e+12 0.00 3.722e+04 ! c6h12-1 + o2<=>c6h111-4+ho2 2.000e+13 0.00 4.964e+04 c6h12-1 + o2<=>c6h111-5+ho2 2.000e+13 0.00 4.964e+04 c6h12-1 + o2<=>c6h111-6+ho2 3.000e+13 0.00 5.229e+04 ! c6h12-1+o<=>c6h111-3 + oh 6.600e+05 2.43 1.210e+03 c6h12-1+o<=>c6h111-4 + oh 5.510e+05 2.45 2.830e+03 c6h12-1+o<=>c6h111-5 + oh 5.510e+05 2.45 2.830e+03 c6h12-1+o<=>c6h111-6 + oh 9.800e+05 2.43 4.750e+03 ! ! c6h12-2 + o2<=>c6h111-3+ho2 5.500e+12 0.00 3.990e+04 c6h12-2 + o2<=>c6h112-4+ho2 2.200e+12 0.00 3.722e+04 c6h12-2 + o2<=>c6h112-5+ho2 2.000e+13 0.00 4.964e+04 c6h12-2 + o2<=>c6h112-6+ho2 3.000e+13 0.00 5.229e+04 ! c6h12-2+o<=>c6h111-3 + oh 4.410e+05 2.42 3.150e+03 c6h12-2+o<=>c6h112-4 + oh 6.600e+05 2.43 1.210e+03 c6h12-2+o<=>c6h112-5 + oh 5.510e+05 2.45 2.830e+03 c6h12-2+o<=>c6h112-6 + oh 9.800e+05 2.43 4.750e+03 ! ! c6h12-3 + o2<=>c6h112-4+ho2 4.400e+12 0.00 3.722e+04 c6h12-3 + o2<=>c6h113-1+ho2 6.000e+13 0.00 5.229e+04 ! c6h12-3+o<=>c6h112-4 + oh 1.320e+06 2.43 1.210e+03 c6h12-3+o<=>c6h113-1 + oh 1.960e+06 2.43 4.750e+03 ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 3 beta-decomposition ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! c2h5+c4h6=c6h111-3 8.500e+10 0.000 8300.0 ! ch3+c5h81-4=c6h111-4 1.000e+11 0.000 7800.0 ! c3h5-a+c3h6=c6h111-5 4.000e+11 0.000 16900.0 !mm 1996b-r/m-r829-847 !!!! *2 -1000 ! c4h71-4+c2h4=c6h111-6 1.000e+11 0.000 8200.0 ! ! ch3+c5h81-3=c6h112-4 6.000e+10 0.000 7500.0 !mm 1988per/ric621 ! c3h5-t+c3h6=c6h112-5 6.300e+11 0.000 3100.0 ! c4h71-3+c2h4=c6h112-6 4.000e+11 0.000 13050.0 !mm 2004s-e/rey426-444 ! ! c4h71-1+c2h4=c6h113-1 6.300e+11 0.000 3100.0 ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 5 isomerization ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! c6h111-6<=>c6h111-4 3.80e+10 0.670 3.600e+04 c6h111-6<=>c6h111-5 3.56e+10 0.880 3.730e+04 ! ! c6h112-6<=>c6h112-4 3.80e+10 0.670 2.840e+04 c6h112-6<=>c6h112-5 3.56e+10 0.880 3.730e+04 ! ! c6h113-1<=>c6h112-4 3.56e+10 0.880 2.960e+04 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 7 oh addition on // ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 10 o2 addition on r ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !o2 -ddition ! c6h111-3 + o2=c6h112o2-1 .2000e+13 .000 .0 c6h111-3 + o2=c6h111o2-3 .2000e+13 .000 .0 c6h111-4 + o2=c6h111o2-4 .7540e+13 .000 .0 c6h111-5 + o2=c6h111o2-5 .7540e+13 .000 .0 c6h111-6 + o2=c6h111o2-6 .4520e+13 .000 .0 ! c6h112-4 + o2=c6h113o2-2 .2000e+13 .000 .000 c6h112-4 + o2=c6h112o2-4 .2000e+13 .000 .000 c6h112-5 + o2=c6h112o2-5 .7540e+13 .000 .0 c6h112-6 + o2=c6h112o2-6 .4520e+13 .000 .0 ! c6h113-1 + o2=c6h113o2-1 .4520e+13 .000 .0 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 12ii direct elimination ho2 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! c6h111o2-3=>c6h101-3+ho2 10.040e+38 -8.11 4.05e+04 c6h111o2-4=>c6h101-3+ho2 2.040e+38 -8.11 3.85e+04 c6h111o2-5=>c6h101-4+ho2 10.040e+38 -8.11 4.05e+04 ! c6h111o2-6=>c6h101-5+ho2 10.040e+38 -8.11 4.05e+04 ! c6h111o2-5=>c6h101-5+ho2 10.080e+42 -9.41 4.15e+04 ! ! c6h112o2-4=>c6h101-3+ho2 5.040e+38 -8.11 4.05e+04 ! c6h112o2-5=>c6h102-4+ho2 1.040e+38 -8.11 3.75e+04 c6h112o2-6=>c6h101-4+ho2 5.040e+38 -8.11 4.05e+04 ! ! ! c6h113o2-2=>c6h101-3+ho2 5.080e+42 -9.41 4.15e+04 c6h113o2-1=>c6h101-3+ho2 1.040e+38 -8.11 3.75e+04 ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 12i roo isomerization ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !peroxy r-d. isomeriztion to alk.hydroperoxy ! c6h111o2-3=c6h101ooh3-4 2.000e+11 0.000 2.645e+04 c6h111o2-3=c6h101ooh3-5 2.500e+10 0.000 2.045e+04 c6h111o2-3=c6h101ooh3-6 9.376e+09 0.000 2.195e+04 c6h111o2-4=c6h101ooh4-3 2.000e+11 0.000 2.445e+04 !! -2000 c6h111o2-4=c6h101ooh4-5 2.000e+11 0.000 2.645e+04 c6h111o2-4=c6h101ooh4-6 3.750e+10 0.000 2.400e+04 c6h111o2-5=c6h101ooh5-3 2.500e+10 0.000 1.845e+04 !! -2000 c6h111o2-5=c6h101ooh5-4 2.000e+11 0.000 2.645e+04 c6h111o2-5=c6h101ooh5-6 3.000e+11 0.000 2.900e+04 c6h111o2-6=c6h101ooh6-3 3.125e+09 0.000 1.665e+04 !! -2000 c6h111o2-6=c6h101ooh6-4 2.500e+10 0.000 2.045e+04 c6h111o2-6=c6h101ooh6-5 2.000e+11 0.000 2.645e+04 ! ! ! c6h112o2-4=c6h102ooh4-5 2.00e+11 0.000 2.645e+04 c6h112o2-4=c6h102ooh4-6 3.75e+10 0.000 2.400e+04 c6h112o2-5=c6h102ooh5-4 2.00e+11 0.000 2.445e+04 !! -2000 c6h112o2-5=c6h102ooh5-6 3.00e+11 0.000 2.900e+04 c6h112o2-6=c6h102ooh6-4 2.500e+10 0.000 1.845e+04 !! -2000 c6h112o2-6=c6h102ooh6-5 2.00e+11 0.000 2.645e+04 ! ! ! c6h113o2-1=c6h103ooh1-2 2.000e+11 0.000 2.445e+04 !! -2000 c6h113o2-2=c6h103ooh2-1 3.00e+11 0.000 2.900e+04 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 19 eterocycle formation ! ox-ne not included ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !eterocycle form-tion (complete list) (x -ll) ! c6h101ooh3-4=>etes1 + oh 6.000e+11 0.000 22000.0 c6h101ooh3-5=>mvox + oh 7.500e+10 0.000 15250.0 c6h101ooh3-4=>vthf + oh 9.375e+09 0.000 07000.0 c6h101ooh4-3=>edhf + oh 9.375e+09 0.000 07000.0 !mm 9.375e+09 c6h101ooh4-3=>etes1 + oh 6.000e+11 0.000 22000.0 !mm 6.000e+11 c6h101ooh4-5=>etes1 + oh 6.000e+11 0.000 22000.0 c6h101ooh4-6=>etes1 + oh 7.500e+10 0.000 15250.0 c6h101ooh5-3=>mvox + oh 7.500e+10 0.000 15250.0 !mm 7.500e+10 c6h101ooh5-4=>etes1 + oh 6.000e+11 0.000 22000.0 c6h101ooh5-6=>etes1 + oh 6.000e+11 0.000 22000.0 c6h101ooh6-3=>vthf + oh 9.375e+09 0.000 07000.0 !mm c6h101ooh6-4=>etes1 + oh 7.500e+10 0.000 15250.0 c6h101ooh6-5=>etes1 + oh 6.000e+11 0.000 22000.0 !c6h112o2-1=>edhf + oh .200e+11 .000 19100.0 !!!different class ! ! c6h102ooh4-5=>etes1 + oh 6.000e+11 0.000 22000.0 c6h102ooh4-6=>etes1 + oh 7.500e+10 0.000 15250.0 c6h102ooh5-4=>etes1 + oh 6.000e+11 0.000 22000.0 !mm c6h102ooh5-6=>etes1 + oh 6.000e+11 0.000 22000.0 c6h102ooh6-4=>etes1 + oh 7.500e+10 0.000 15250.0 !mm c6h102ooh6-5=>etes1 + oh 6.000e+11 0.000 22000.0 !c6h112o2-1=>edhf + oh .200e+11 .000 19100.0 !!!different class ! ! c6h103ooh2-1=>etes1 + oh 6.000e+11 0.000 22000.0 c6h103ooh1-2=>etes1 + oh 6.000e+11 0.000 22000.0 !mm !c6h112o2-1=>edhf + oh .200e+11 .000 19100.0 !!!different class ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 20 ho2 + diolefin formation ! -a> ho2 -ddition on dienes ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! ho2+c6h101-3<=>c6h101ooh3-4 4.85e+11 0.000 1.00e+04 ho2+c6h101-3<=>c6h101ooh4-3 4.85e+11 0.000 0.90e+04 ho2+c6h101-4<=>c6h101ooh4-5 3.40e+11 0.000 1.18e+04 !mm /2 ho2+c6h101-4<=>c6h101ooh5-4 3.40e+11 0.000 1.18e+04 !mm /2 ho2+c6h101-5<=>c6h101ooh5-6 1.00e+12 0.000 1.37e+04 ho2+c6h101-5<=>c6h101ooh6-5 1.00e+12 0.000 1.37e+04 ! ! ho2+c6h102-4<=>c6h102ooh4-5 3.80e+11 0.000 8.80e+03 ho2+c6h102-4<=>c6h102ooh5-4 3.80e+11 0.000 7.80e+03 ho2+c6h101-4<=>c6h102ooh5-6 1.00e+12 0.000 1.37e+04 ho2+c6h101-4<=>c6h102ooh6-5 1.00e+12 0.000 1.37e+04 ! ! ho2+c6h101-3<=>c6h103ooh2-1 4.85e+11 0.000 1.00e+04 ho2+c6h101-3<=>c6h103ooh1-2 4.85e+11 0.000 0.90e+04 ! ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 20b ho2 + olefin formation ! -a> ho2 -ddition on hexenes ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! c6h12-1+ho2<=>c6h12ooh1-2 1.00e+12 0.000 1.37e+04 c6h12-1+ho2<=>c6h12ooh2-1 1.00e+12 0.000 1.37e+04 ! c6h12-2+ho2<=>c6h12ooh2-3 6.80e+11 0.000 1.18e+04 c6h12-2+ho2<=>c6h12ooh3-2 6.80e+11 0.000 1.18e+04 ! c6h12-3+ho2<=>c6h12ooh3-4 6.80e+11 0.000 1.18e+04 ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 21 qooh decompositions ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! !bet-adecomposition ! c6h101ooh3-4=>ch3+ac3h5ooh+c2h2 .3000e+14 .000 33500.0 c6h101ooh3-5=>oh+c3h6+c2h3cho .3000e+14 .000 23000.0 c6h101ooh3-6=>ho2+c4h6+c2h4 .3000e+14 .000 30000.0 !c6h101ooh4-3=>c2h5+ch3o2h+c3h2 .1000e+14 .000 35000.0 c6h101ooh4-5=>c3h5-a+ac3h5ooh .3000e+14 .000 23000.0 c6h101ooh4-6=>oh+c2h3coch3+c2h4 .3000e+14 .000 30000.0 c6h101ooh5-3=>oh+c4h6+ch3cho .1000e+14 .000 35000.0 c6h101ooh5-4=>ch3+ch3o2h+2c2h2 .3000e+14 .000 33500.0 c6h101ooh5-6=>c4h71-4+c2h3ooh .3000e+14 .000 30000.0 c6h101ooh6-3=>ho2+c4h6+c2h4 .1000e+14 .000 35000.0 c6h101ooh6-4=>oh+c5h81-4+ch2o .3000e+14 .000 29500.0 c6h101ooh6-5=>c3h5-a+ac3h5ooh .3000e+14 .000 23000.0 ! ! c6h102ooh4-6=>oh+c2h3coch3+c2h4 .3000e+14 .000 22000.0 c6h102ooh5-6=>c4h71-3+ch2cho + oh .3000e+14 .000 22000.0 c6h102ooh6-4=>oh+c5h81-3+ch2o .1000e+14 .000 35000.0 c6h102ooh6-5=>c3h5-t+ac3h5ooh .3000e+14 .000 39000.0 ! ! c6h103ooh2-1=>c4h71-4+ch2cho + oh .3000e+14 .000 39000.0 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 22 o2 addition on qooh ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! c6h101ooh3-4 + o2=c6h101ooh3-4o2 .7540e+13 .000 .0 c6h101ooh3-5 + o2=c6h101ooh3-5o2 .7540e+13 .000 .0 c6h101ooh3-6 + o2=c6h101ooh3-6o2 .4520e+13 .000 .0 c6h101ooh4-3 + o2=c6h101ooh4-3o2 .2000e+13 .000 .0 c6h101ooh4-5 + o2=c6h101ooh4-5o2 .7540e+13 .000 .0 c6h101ooh4-6 + o2=c6h101ooh4-6o2 .4520e+13 .000 .0 c6h101ooh5-3 + o2=c6h101ooh5-3o2 .2000e+13 .000 .0 c6h101ooh5-4 + o2=c6h101ooh5-4o2 .7540e+13 .000 .0 c6h101ooh5-6 + o2=c6h101ooh5-6o2 .4520e+13 .000 .0 c6h101ooh6-3 + o2=c6h101ooh6-3o2 .2000e+13 .000 .0 c6h101ooh6-4 + o2=c6h101ooh6-4o2 .7540e+13 .000 .0 c6h101ooh6-5 + o2=c6h101ooh6-5o2 .7540e+13 .000 .0 ! ! ! c6h102ooh4-5 + o2=c6h102ooh4-5o2 .7540e+13 .000 .0 c6h102ooh4-6 + o2=c6h102ooh4-6o2 .4520e+13 .000 .0 c6h102ooh5-4 + o2=c6h102ooh5-4o2 .1000e+13 .000 .0 c6h102ooh5-6 + o2=c6h102ooh5-6o2 .4520e+13 .000 .0 c6h102ooh6-4 + o2=c6h102ooh6-4o2 .1000e+13 .000 .0 c6h102ooh6-5 + o2=c6h102ooh6-5o2 .7540e+13 .000 .0 c6h103ooh2-1 + o2=c6h103ooh2-1o2 .4520e+13 .000 .0 c6h103ooh1-2 + o2=c6h103ooh1-2o2 .1000e+13 .000 .0 ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 23 ketohydro perox. formation ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! c6h101ooh3-4o2=>nc6d1ket34 + oh 1.000e+11 0.000 2.145e+04 ! -2000 c6h101ooh3-5o2=>nc6d1ket35 + oh 1.250e+10 0.000 1.545e+04 ! -2000 c6h101ooh3-6o2=>nc6d1ket36 + oh 1.563e+09 0.000 1.365e+04 ! -2000 c6h101ooh4-3o2=>nc6d1ket43 + oh 1.00e+11 0.000 2.345e+04 c6h101ooh4-5o2=>nc6d1ket45 + oh 1.00e+11 0.000 2.345e+04 c6h101ooh4-6o2=>nc6d1ket46 + oh 1.25e+10 0.000 1.745e+04 c6h101ooh5-3o2=>nc6d1ket53 + oh 1.25e+10 0.000 1.745e+04 c6h101ooh5-4o2=>nc6d1ket54 + oh 1.00e+11 0.000 2.345e+04 c6h101ooh5-6o2=>nc6d1ket56 + oh 1.00e+11 0.000 2.345e+04 c6h101ooh6-3o2=>nc6d1ket63 + oh 3.12e+09 0.000 2.215e+04 c6h101ooh6-4o2=>nc6d1ket64 + oh 2.50e+10 0.000 2.100e+04 c6h101ooh6-5o2=>nc6d1ket65 + oh 2.00e+11 0.000 2.615e+04 ! ! c6h102ooh4-5o2=>nc6d2ket45 + oh 1.000e+11 0.000 2.145e+04 ! -2000 c6h102ooh4-6o2=>nc6d2ket46 + oh 1.250e+10 0.000 1.545e+04 ! -2000 c6h102ooh5-4o2=>nc6d2ket54 + oh 1.00e+11 0.000 2.345e+04 c6h102ooh5-6o2=>nc6d2ket56 + oh 1.00e+11 0.000 2.345e+04 c6h102ooh6-4o2=>nc6d2ket64 + oh 2.50e+10 0.000 2.100e+04 c6h102ooh6-5o2=>nc6d2ket65 + oh 2.00e+11 0.000 2.600e+04 ! ! c6h103ooh2-1o2=>nc6d3ket21 + oh 1.000e+11 0.000 2.145e+04 ! -2000 c6h103ooh1-2o2=>nc6d3ket12 + oh 2.00e+11 0.000 2.600e+04 ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 23 ketohydroperoxide decomposition ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! nc6d1ket34=>oh+c2h3+co+c2h5cho .1000e+17 .000 39000.0 nc6d1ket35=>oh+ch2cho+c2h3coch3 .5000e+16 .000 39000.0 nc6d1ket35=>oh+ch3+co+c2h3coch3 .5000e+16 .000 39000.0 nc6d1ket36=>oh+c2h3+co+ch2o+c2h4 .1000e+17 .000 39000.0 nc6d1ket43=>oh+c3h5o+c2h3cho .1000e+17 .000 39000.0 nc6d1ket45=>oh+c2h3+ch3cho+ch2co .1000e+17 .000 39000.0 nc6d1ket46=>oh+c3h5-a+co+ch3cho .1000e+17 .000 39000.0 nc6d1ket53=>oh+c2h5co+c2h3cho .1000e+17 .000 39000.0 nc6d1ket54=>oh+c3h5-a+co+ch3cho .1000e+17 .000 39000.0 nc6d1ket56=>oh+c3h5-a+ch2co+ch2o .1000e+17 .000 39000.0 nc6d1ket63=>oh+c2h3cho+hco+c2h4 .1000e+17 .000 39000.0 nc6d1ket64=>oh+c3h5-a+ch3cho+co .5000e+16 .000 39000.0 nc6d1ket64=>oh+ch2cho+ac3h5cho .5000e+16 .000 39000.0 nc6d1ket65=>oh+hco+ch2co+c3h6 .1000e+17 .000 39000.0 ! ! nc6d2ket45=>oh+c3h5-t+co+ch3cho .1000e+17 .000 39000.0 nc6d2ket46=>oh+c3h5-t+ch2co+ch2o .1000e+17 .000 39000.0 nc6d2ket54=>oh+ch2cho+c2h3coch3 .1000e+17 .000 39000.0 nc6d2ket56=>oh+c3h5-t+ch2o+ch2co .1000e+17 .000 39000.0 nc6d2ket64=>oh+ch2cho+c2h3coch3 .1000e+17 .000 39000.0 nc6d2ket65=>oh+c4h71-3+co+ch2o .1000e+17 .000 39000.0 ! ! nc6d3ket21=>oh+c4h71-4+co+ch2o .1000e+17 .000 39000.0 nc6d3ket12=>oh+hco+c4h7cho1-4 .1000e+17 .000 39000.0 !! c4h7cho1-4 not actual product ! ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! class 2x waddington ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! ! ! !direct decompositions of c6h12oh-x were deleted!!!! ! !and substituted by the following: ! ! c6h12oh-1=>ch3cho+pc4h9 1.500e+13 .000 3.000e+04 c6h12oh-1=>c2h5cho+nc3h7 1.500e+13 .000 3.000e+04 ! ! c6h12oh-2=>nc3h7cho+c2h5 1.500e+13 .000 3.000e+04 c6h12oh-2=>nc4h9cho+ch3 1.500e+13 .000 3.000e+04 ! ! c6h12oh-3=>nc3h7cho+c2h5 3.000e+13 .000 3.000e+04 ! ! ! c6h12-3+o<=>nc3h7+c2h5co 1.000e+11 0.00 -1.050e+03 ! ! ! ! !termination ho2 ! c6h111-4+ho2=c6h111o2h-4 .9000e+13 .000 .0 c6h111-5+ho2=c6h111o2h-5 .9000e+13 .000 .0 c6h111-6+ho2=c6h111o2h-6 .9000e+13 .000 .0 ! ! c6h112-5+ho2=c6h112o2h-5 .9000e+13 .000 .0 c6h112-6+ho2=c6h112o2h-6 .9000e+13 .000 .0 c6h112-4+ho2=c6h113o2h-2 .4000e+13 .000 .0 c6h112-4+ho2=c6h112o2h-4 .4000e+13 .000 .0 ! c6h113-1+ho2=c6h113o2h-1 .9000e+13 .000 .0 ! ! ! ! ! !oh elimination ! c6h112o2-1=>c2h3coc3h7 + oh .4000e+13 .000 38000.0 !!! kes1-a>c2h3coc3h7 -ctu-lly c5h9cho... c6h111o2-3=>c2h3coc3h7 + oh .4000e+13 .000 38000.0 !!! kes1-a>c2h3coc3h7 c6h101ooh3-6=>c2h3coc3h7 + oh .1000e+12 .000 16700.0 !!! kes1-a>c2h3coc3h7 ! ! ! ! ! ! ! ! ! ! !hydroperoxide decomposition ! c6h111o2h-4=>oh+c2h5cho+c3h5-a .1000e+17 .000 39000.0 c6h111o2h-5=>oh+ch3cho+c4h71-4 .1000e+17 .000 39000.0 c6h111o2h-6=>oh+ch2o+c5h91-5 .1000e+17 .000 39000.0 ! ! c6h112o2h-4=>oh+c2h3coch3+c2h5 .1000e+17 .000 39000.0 c6h112o2h-5=>oh+ch3cho+c4h71-3 .1000e+17 .000 39000.0 c6h112o2h-6=>oh+ch2o+c5h91-5 .1000e+17 .000 39000.0 c6h113o2h-2=>oh+ch3cho+c4h71-4 .1000e+17 .000 39000.0 c6h113o2h-1=>oh+ch2o+c5h91-3 .1000e+17 .000 39000.0 ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! !activation of the ho2 --> oh ! ! ! ! ! ! ! ! !abstraction on eterocycles ! o2 +etes1=>ho2 +c2h3coch3+c2h3 .2045e+08 2.0 40722.49 h +etes1=>h2 +c2h3coch3+c2h3 .2574e+08 2.0 3950.57 oh +etes1=>h2o +c2h3coch3+c2h3 .4793e+07 2.0 -2259.83 o +etes1=>oh +c2h3coch3+c2h3 .1624e+08 2.0 2579.54 ho2 +etes1=>h2o2 +c2h3coch3+c2h3 .6465e+06 2.0 11887.73 hco +etes1=>ch2o +c2h3coch3+c2h3 .1516e+07 2.0 12360.44 ch3 +etes1=>ch4 +c2h3coch3+c2h3 .4684e+06 2.0 4871.29 c2h5 +etes1=>c2h6 +c2h3coch3+c2h3 .2758e+06 2.0 7658.07 ch3o +etes1=>ch3oh +c2h3coch3+c2h3 .5136e+06 2.0 1583.56 ch3o2 +etes1=>ch3o2h+c2h3coch3+c2h3 .9133e+06 2.0 12360.44 o2 +mvox=>ho2 +c2h3coch3+c2h3 .2045e+08 2.0 40722.49 h +mvox=>h2 +c2h3coch3+c2h3 .2574e+08 2.0 3950.57 oh +mvox=>h2o +c2h3coch3+c2h3 .4793e+07 2.0 -2259.83 o +mvox=>oh +c2h3coch3+c2h3 .1624e+08 2.0 2579.54 ho2 +mvox=>h2o2 +c2h3coch3+c2h3 .6465e+06 2.0 11887.73 hco +mvox=>ch2o +c2h3coch3+c2h3 .1516e+07 2.0 12360.44 ch3 +mvox=>ch4 +c2h3coch3+c2h3 .4684e+06 2.0 4871.29 c2h5 +mvox=>c2h6 +c2h3coch3+c2h3 .2758e+06 2.0 7658.07 ch3o2 +mvox=>ch3o2h +c2h3coch3+c2h3 .9133e+06 2.0 12360.44 c2h3 +mvox=>c2h4 +c2h3coch3+c2h3 .8139e+06 2.0 4871.29 ch3o +mvox=>ch3oh +c2h3coch3+c2h3 .5136e+06 2.0 1583.56 o2 +vthf=>ho2 +c2h3coch3+c2h3 .2045e+08 2.0 40722.49 h +vthf=>h2 +c2h3coch3+c2h3 .2574e+08 2.0 3950.57 oh +vthf=>h2o +c2h3coch3+c2h3 .4793e+07 2.0 -2259.83 o +vthf=>oh +c2h3coch3+c2h3 .1624e+08 2.0 2579.54 ho2 +vthf=>h2o2 +c2h3coch3+c2h3 .6465e+06 2.0 11887.73 hco +vthf=>ch2o +c2h3coch3+c2h3 .1516e+07 2.0 12360.44 ch3 +vthf=>ch4 +c2h3coch3+c2h3 .4684e+06 2.0 4871.29 c2h5 +vthf=>c2h6 +c2h3coch3+c2h3 .2758e+06 2.0 7658.07 ch3o +vthf=>ch3oh +c2h3coch3+c2h3 .5136e+06 2.0 1583.56 ch3o2 +vthf=>ch3o2h +c2h3coch3+c2h3 .9133e+06 2.0 12360.44 c2h3 +vthf=>c2h4 +c2h3coch3+c2h3 .8139e+06 2.0 4871.29 o2 +edhf=>ho2 +c2h3coch3+c2h3 .2045e+08 2.0 40722.49 h +edhf=>h2 +c2h3coch3+c2h3 .2574e+08 2.0 3950.57 oh +edhf=>h2o +c2h3coch3+c2h3 .4793e+07 2.0 -2259.83 o +edhf=>oh +c2h3coch3+c2h3 .1624e+08 2.0 2579.54 ho2 +edhf=>h2o2 +c2h3coch3+c2h3 .6465e+06 2.0 11887.73 hco +edhf=>ch2o +c2h3coch3+c2h3 .1516e+07 2.0 12360.44 ch3 +edhf=>ch4 +c2h3coch3+c2h3 .4684e+06 2.0 4871.29 c2h5 +edhf=>c2h6 +c2h3coch3+c2h3 .2758e+06 2.0 7658.07 c2h3 +edhf=>c2h4 +c2h3coch3+c2h3 .8139e+06 2.0 4871.29 ch3o2 +edhf=>ch3o2h +c2h3coch3+c2h3 .9133e+06 2.0 12360.44 ch3o +edhf=>ch3oh +c2h3coch3+c2h3 .5136e+06 2.0 1583.56 ! !additional abstraction ! o2 +c5h81-4=>ho2 +c3h5-a+c2h2 .5111e+07 2.0 40722.49 h +c5h81-4=>h2 +c3h5-a+c2h2 .6435e+07 2.0 3950.57 oh +c5h81-4=>h2o +c3h5-a+c2h2 .1198e+07 2.0 -2259.83 o +c5h81-4=>oh +c3h5-a+c2h2 .4060e+07 2.0 2579.54 ho2 +c5h81-4=>h2o2 +c3h5-a+c2h2 .1616e+06 2.0 11887.73 hco +c5h81-4=>ch2o +c3h5-a+c2h2 .3789e+06 2.0 12360.44 ch3 +c5h81-4=>ch4 +c3h5-a+c2h2 .1171e+06 2.0 4871.29 c2h5 +c5h81-4=>c2h6 +c3h5-a+c2h2 .6895e+05 2.0 7658.07 ch3o +c5h81-4=>ch3oh +c3h5-a+c2h2 .1284e+06 2.0 1583.56 ch3o2 +c5h81-4=>ch3o2h+c3h5-a+c2h2 .2283e+06 2.0 12360.44 c2h3 +c5h81-4=>c2h4 +c3h5-a+c2h2 .2035e+06 2.0 4871.29 ! !!addition on diolefin ! c6h101-3+h<=>c6h111-3 2.50e+11 0.50 2620 c6h101-3+h<=>c6h111-4 2.50e+11 0.50 2620 c6h101-3+h<=>c6h113-1 4.25e+11 0.50 1230 c6h101-3+h<=>c6h112-4 2.50e+11 0.50 2620 ! c6h101-4+h<=>c6h111-4 2.50e+11 0.50 2620 c6h101-4+h<=>c6h111-5 2.50e+11 0.50 2620 c6h101-4+h<=>c6h112-5 4.25e+11 0.50 1230 c6h101-4+h<=>c6h112-6 2.50e+11 0.50 2620 ! c6h101-5+h<=>c6h111-5 4.25e+11 0.50 1230 c6h101-5+h<=>c6h111-6 2.50e+11 0.50 2620 ! ! c6h101-3+o=>c5h91-3+hco 2.000e+11 0.00 -1.050e+03 c6h101-4+o=>c5h92-5+hco 2.000e+11 0.00 -1.050e+03 c6h101-5+o=>c5h91-5+hco 2.000e+11 0.00 -1.050e+03 ! ! c6h101-3 + oh=>c5h91-3+ch2o 1.000e+12 0.000 0.000e+00 c6h101-4 + oh=>c5h92-5+ch2o 1.000e+12 0.000 0.000e+00 c6h101-5 + oh=>c5h91-5+ch2o 1.000e+12 0.000 0.000e+00 ! ! ! c6h101-3 + oh=>c2h3+c4h6+h2o 2.764e+04 2.64 -1.919e+03 c6h101-4 + oh=>c2h3+c4h6+h2o 2.764e+04 2.64 -1.919e+03 c6h101-5 + oh=>c2h3+c4h6+h2o 2.764e+04 2.64 -1.919e+03 ! ! c6h101-3+ho2=>c2h3+c4h6+h2o2 4.820e+03 2.55 1.053e+04 c6h101-4+ho2=>c2h3+c4h6+h2o2 4.820e+03 2.55 1.053e+04 c6h101-5+ho2=>c2h3+c4h6+h2o2 4.820e+03 2.55 1.053e+04 ! c6h101-3+h=>c2h3+c4h6+h2 3.376e+05 2.36 2.070e+02 c6h101-4+h=>c2h3+c4h6+h2 3.376e+05 2.36 2.070e+02 c6h101-5+h=>c2h3+c4h6+h2 3.376e+05 2.36 2.070e+02 ! ! ! ! ! ! !!!!!!c 8-c16 n-alkane mechanism from LLNL with only high temperature rxns (classes 1-9)!!!!!!!!!!! ! ! ! ! ! unimolecular reactions of alkanes ! ! Class 1 ! ! decomposition and recombination reactions ! ! c8h17-1+h = nc8h18 1.00e+14 0. 0. c8h17-2+h = nc8h18 1.00e+14 0. 0. c8h17-3+h = nc8h18 1.00e+14 0. 0. c8h17-4+h = nc8h18 1.00e+14 0. 0. ! nc8h18(+m)<=>c7h15-1+ch3(+m) 4.325e+24 -2.12 8.990e+04 !rev/ 4.630e+14 -0.32 5.000e+00 / low / 4.9630e+42 -7.7800e+00 4.2800e+04 / troe / 8.9200e-01 1.0000e+10 2.2280e+00 1.7980e+09 / !troe fall-off reaction !1.00e+13 0. 0. nc8h18(+m)<=>c6h13-1+c2h5(+m) 6.818e+26 -2.70 8.891e+04 !rev/ 3.260e+15 -0.68 0.000e+00 / low / 3.7530e+48 -9.4600e+00 4.1310e+04 / troe / 9.0000e-02 3.6556e+00 1.0000e+10 9.3300e+09 / !troe fall-off reaction !8.00e+12 0. 0. nc8h18(+m)<=>c5h11-1+nc3h7(+m) 1.362e+26 -2.53 8.876e+04 !rev/ 3.100e+14 -0.35 0.000e+00 / low / 6.5090e+48 -9.5700e+00 4.1290e+04 / troe / 9.1100e-01 1.0000e+10 2.2382e+01 5.0000e+09 / !troe fall-off reaction !8.00e+12 0. 0. nc8h18(+m)<=>pc4h9+pc4h9(+m) 1.362e+26 -2.53 8.876e+04 !rev/ 3.100e+14 -0.35 0.000e+00 / low / 6.5090e+48 -9.5700e+00 4.1290e+04 / troe / 9.1100e-01 1.0000e+10 2.2382e+01 5.0000e+09 / !troe fall-off reaction !8.00e+12 0. 0. ! ! ! Class 2 ! ! h atom abstraction ! ! nc8h18+h = c8h17-1+h2 1.330E+06 2.54 6.756E+03 nc8h18+h = c8h17-2+h2 2.600E+06 2.40 4.471E+03 nc8h18+h = c8h17-3+h2 2.600E+06 2.40 4.471E+03 nc8h18+h = c8h17-4+h2 2.600E+06 2.40 4.471E+03 ! nc8h18 + oh = c8h17-1+h2o 1.056E+10 0.97 1.590E+03 nc8h18 + oh = c8h17-2+h2o 9.400E+07 1.61 -3.500E+01 nc8h18 + oh = c8h17-3+h2o 9.400E+07 1.61 -3.500E+01 nc8h18 + oh = c8h17-4+h2o 9.400E+07 1.61 -3.500E+01 ! nc8h18+o = c8h17-1 + oh 1.960E+06 2.43 4.750E+03 nc8h18+o = c8h17-2 + oh 1.100E+06 2.45 2.830E+03 nc8h18+o = c8h17-3 + oh 1.100E+06 2.45 2.830E+03 nc8h18+o = c8h17-4 + oh 1.100E+06 2.45 2.830E+03 ! nc8h18+ho2 = c8h17-1+h2o2 4.080e+01 3.59 1.716e+04 nc8h18+ho2 = c8h17-2+h2o2 1.264e+02 3.37 1.372e+04 nc8h18+ho2 = c8h17-3+h2o2 1.264e+02 3.37 1.372e+04 nc8h18+ho2 = c8h17-4+h2o2 1.264e+02 3.37 1.372e+04 ! nc8h18+ch3 = c8h17-1+ch4 9.060E-01 3.65 7.154E+03 nc8h18+ch3 = c8h17-2+ch4 3.020E+00 3.46 5.481E+03 nc8h18+ch3 = c8h17-3+ch4 3.020E+00 3.46 5.481E+03 nc8h18+ch3 = c8h17-4+ch4 3.020E+00 3.46 5.481E+03 ! nc8h18 + o2 = c8h17-1+ho2 6.000E+13 0.00 5.229E+04 nc8h18 + o2 = c8h17-2+ho2 4.000E+13 0.00 4.964E+04 nc8h18 + o2 = c8h17-3+ho2 4.000E+13 0.00 4.964E+04 nc8h18 + o2 = c8h17-4+ho2 4.000E+13 0.00 4.964E+04 ! nc8h18+c2h3 = c8h17-1+c2h4 1.000E+12 0.00 1.800E+04 nc8h18+c2h3 = c8h17-2+c2h4 8.000E+11 0.00 1.680E+04 nc8h18+c2h3 = c8h17-3+c2h4 8.000E+11 0.00 1.680E+04 nc8h18+c2h3 = c8h17-4+c2h4 8.000E+11 0.00 1.680E+04 ! nc8h18+c2h5 = c8h17-1+c2h6 1.000E+11 0.00 1.340E+04 nc8h18+c2h5 = c8h17-2+c2h6 1.000E+11 0.00 1.040E+04 nc8h18+c2h5 = c8h17-3+c2h6 1.000E+11 0.00 1.040E+04 nc8h18+c2h5 = c8h17-4+c2h6 1.000E+11 0.00 1.040E+04 ! ! nc8h18+ch3o<=>c8h17-1+ch3oh 4.340e+11 0.00 6.458e+03 nc8h18+ch3o<=>c8h17-2+ch3oh 2.900e+11 0.00 4.571e+03 nc8h18+ch3o<=>c8h17-3+ch3oh 2.900e+11 0.00 4.571e+03 nc8h18+ch3o<=>c8h17-4+ch3oh 2.900e+11 0.00 4.571e+03 ! ! nc8h18+ch3o2<=>c8h17-1+ch3o2h 1.386e+00 3.97 1.828e+04 nc8h18+ch3o2<=>c8h17-2+ch3o2h 2.037e+01 3.58 1.481e+04 nc8h18+ch3o2<=>c8h17-3+ch3o2h 2.037e+01 3.58 1.481e+04 nc8h18+ch3o2<=>c8h17-4+ch3o2h 2.037e+01 3.58 1.481e+04 ! ! ! nc8h18 + o2cho<=>c8h17-1+ho2cho 1.680e+13 0.00 2.044e+04 nc8h18 + o2cho<=>c8h17-2+ho2cho 1.120e+13 0.00 1.769e+04 nc8h18 + o2cho<=>c8h17-3+ho2cho 1.120e+13 0.00 1.769e+04 nc8h18 + o2cho<=>c8h17-4+ho2cho 1.120e+13 0.00 1.769e+04 ! ! ! Class 3 ! ! alkyl decomposition ! ! c8h17-1 = c2h4+c6h13-1 9.12E+11 0.31 27238.0 !1.227e+19 -1.91 3.140e+04 !rev/ 1.000e+11 0.00 8.200e+03 / h+c8h16-1 = c8h17-1 2.500e+11 0.51 2620.0 ! c8h17-2 = c3h6+c5h11-1 6.00E+11 0.50 27650.0 !9.764e+18 -1.79 3.136e+04 !rev/ 1.000e+11 0.00 8.200e+03 / h+c8h16-1 = c8h17-2 4.240e+11 0.51 1230.0 h+c8h16-2 = c8h17-2 2.500e+11 0.51 2620.0 ! c8h17-3 = c4h8-1+pc4h9 6.00E+11 0.50 27650.0 !6.165e+18 -1.71 3.096e+04 !rev/ 1.000e+11 0.00 7.700e+03 / c8h17-3 = ch3+c7h14-1 9.55E+09 1.08 29388.0 !2.698e+17 -1.35 3.148e+04 !rev/ 1.750e+11 0.00 7.200e+03 / h+c8h16-2 = c8h17-3 2.500e+11 0.51 2620.0 h+c8h16-3 = c8h17-3 2.500e+11 0.51 2620.0 ! c8h17-4 = c5h10-1+nc3h7 6.00E+11 0.50 27650.0 !6.165e+18 -1.71 3.096e+04 !rev/ 1.000e+11 0.00 7.700e+03 / c8h17-4 = c2h5+c6h12-1 6.00E+11 0.50 27650.0 !1.143e+18 -1.34 3.143e+04 !rev/ 1.000e+11 0.00 8.200e+03 / h+c8h16-3 = c8h17-4 2.500e+11 0.51 2620.0 h+c8h16-4 = c8h17-4 2.500e+11 0.51 2620.0 ! ! ! ! Class 4 alkyl radical isomerization ! ! include 3, 4, 5, and 6 membered transition state rings ! ! c8h17-1 = c8h17-3 2.96E+00 3.08 1.102E+04 !Tsang 2009 1-octyl=3-octyl 7m p-s !5.478e+08 1.62 3.876e+04 !rev/ 3.445e+07 1.97 4.127e+04 / c8h17-1 = c8h17-4 6.92E+00 3.20 1.6558E+04 !Tsang 2007 1-c6h13=3-c6h13 5m p-s !2.541e+09 0.35 1.976e+04 !rev/ 3.176e+08 0.70 2.227e+04 / DUPLICATE c8h17-1 = c8h17-4 1.82E+02 2.55 1.0960E+04 !Tsang 2007 1-c6h13=2-c6h13 6m p-s !1.386e+09 0.98 3.376e+04 !rev/ 8.716e+07 1.33 3.627e+04 / DUPLICATE c8h17-2 = c8h17-4 1.42E+00 3.32 1.614E+04 !Tsang 2009 2-octyl=4octyl, 5m s-s !9.587e+08 1.39 3.970e+04 !rev/ 9.587e+08 1.39 3.970e+04 / c8h17-2 = c8h17-3 1.86E+00 3.27 1.320E+04 !Tsang 2009 2-octyl=3octyl, 6m s-s !9.587e+08 1.39 3.970e+04 !rev/ 9.587e+08 1.39 3.970e+04 / ! ! ! ! class 5 h atom abstraction from olefins ! !! ! c8h16-1+ho2<=>c8h15+h2o2 5.060e+02 3.37 1.372e+04 c8h16-2+ho2<=>c8h15+h2o2 5.060e+02 3.37 1.372e+04 c8h16-3+ho2<=>c8h15+h2o2 5.060e+02 3.37 1.372e+04 c8h16-4+ho2<=>c8h15+h2o2 5.060e+02 3.37 1.372e+04 ! c8h16-1 + oh = c8h15+h2o 3.740E+08 1.61 -3.500E+01 c8h16-2 + oh = c8h15+h2o 3.740E+08 1.61 -3.500E+01 c8h16-3 + oh = c8h15+h2o 3.740E+08 1.61 -3.500E+01 c8h16-4 + oh = c8h15+h2o 3.740E+08 1.61 -3.500E+01 ! c8h16-1+h = c8h15+h2 1.040E+07 2.40 4.471E+03 c8h16-2+h = c8h15+h2 1.040E+07 2.40 4.471E+03 c8h16-3+h = c8h15+h2 1.040E+07 2.40 4.471E+03 c8h16-4+h = c8h15+h2 1.040E+07 2.40 4.471E+03 ! c8h16-1+ch3 = c8h15+ch4 1.210E+01 3.46 5.481E+03 c8h16-2+ch3 = c8h15+ch4 1.210E+01 3.46 5.481E+03 c8h16-3+ch3 = c8h15+ch4 1.210E+01 3.46 5.481E+03 c8h16-4+ch3 = c8h15+ch4 1.210E+01 3.46 5.481E+03 ! c8h16-1+o = c8h15 + oh 4.420E+06 2.45 2.830E+03 c8h16-2+o = c8h15 + oh 4.420E+06 2.45 2.830E+03 c8h16-3+o = c8h15 + oh 4.420E+06 2.45 2.830E+03 c8h16-4+o = c8h15 + oh 4.420E+06 2.45 2.830E+03 ! ! ! ! ! Class 6 addition reactions with olefins ! c8h16-1 + oh = ch2o+c7h15-1 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-1 + oh = ch3cho+c6h13-1 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-1+o = ch2cho+c6h13-1 1.000E+11 0.00 -1.050E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-2 + oh = ch3cho+c6h13-1 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-2 + oh = c2h5cho+c5h11-1 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-2+o = ch3cho+c6h12-1 1.000E+11 0.00 -1.050E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-3 + oh = c2h5cho+c5h11-1 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-3 + oh = nc3h7cho+pc4h9 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-3+o = c2h5cho+c5h10-1 1.000E+11 0.00 -1.050E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-4 + oh = nc3h7cho+pc4h9 1.000E+11 0.00 -4.000E+03 rev / 0.000E+00 0.00 0.000E+00 / c8h16-4+o = nc3h7cho+c4h8-1 1.000E+11 0.00 -1.050E+03 rev / 0.000E+00 0.00 0.000E+00 / ! ! ! ! class 7 ! ! ! ! c8h15+ho2<=>ac3h5cho+pc4h9 + oh 9.640e+12 0.00 0.000e+00 c8h15+ch3o2<=>ac3h5cho+pc4h9+ch3o 9.640e+12 0.00 0.000e+00 c8h15+c2h5o2<=>ac3h5cho+pc4h9+c2h5o 9.640e+12 0.00 0.000e+00 ! ! ! ! Class 8 alkenyl radical decomposition ! global reactions ! c8h15 = c2h3+c6h12-1 2.50E+13 0.00 3.500E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15 = c3h5-a+c5h10-1 2.50E+13 0.00 2.500E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15 = c4h71-1+c4h8-1 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15 = c5h91-5+c3h6 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15 = c6h111-6+c2h4 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / ! ! ! ! ! ! Class 9 olefin decomposition ! ! c8h16-1 = c5h11-1+c3h5-a 2.500E+16 0.00 7.100E+04 rev / 1.000E+13 0.00 0.000E+00 / c8h16-2 = c4h71-1+pc4h9 2.500E+16 0.00 7.100E+04 rev / 1.000E+13 0.00 0.000E+00 / c8h16-3 = c5h91-5+nc3h7 2.500E+16 0.00 7.100E+04 rev / 1.000E+13 0.00 0.000E+00 / c8h16-4 = c6h111-6+c2h5 2.500E+16 0.00 7.100E+04 rev / 1.000E+13 0.00 0.000E+00 / ! ! ! class 10 retroene reactions ! ! c8h16-1 = c5h10-1 + c3h6 3.98e+12 0 57629 ! ! c8h16-2 = c4h8-1 + c4h8-1 3.98e+12 0 57629 ! ! c8h16-3 = c3h6 + c5h10-1 3.98e+12 0 57629 ! c8h16-4 = c2h4 + c6h12-1 3.98e+12 0 57629 ! ! ! ! class 30 miscellaneous reactions ! ! ! !!!!!!!!!!c8-c20 2-methylalkane mechanism with low temperature and high temp chemistry!!!!!!!!! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 1 unimolecular fuel decomposition ! c7h15-2a + h = c7h16-2 1.000e+14 0.00 0.000 c7h15-2b + h = c7h16-2 1.000e+14 0.00 0.000 c7h15-2c + h = c7h16-2 1.000e+14 0.00 0.000 c7h15-2d + h = c7h16-2 1.000e+14 0.00 0.000 c7h15-2e + h = c7h16-2 1.000e+14 0.00 0.000 c7h15-2f + h = c7h16-2 1.000e+14 0.00 0.000 ! ch3 + c6h13-2 = c7h16-2 1.000e+13 0.00 0.000 ic3h7 + pc4h9 = c7h16-2 8.000e+12 0.00 0.000 ic4h9 + nc3h7 = c7h16-2 8.000e+12 0.00 0.000 dc5h11 + c2h5 = c7h16-2 8.000e+12 0.00 0.000 ec6h13 + ch3 = c7h16-2 1.000e+13 0.00 0.000 ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! ! ! class 1 unimolecular fuel decomposition ! c8h17-2a + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2b + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2c + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2d + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2e + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2f + h = c8h18-2 1.000e+14 0.00 0.000 c8h17-2g + h = c8h18-2 1.000e+14 0.00 0.000 ! ch3 + c7h15-2 = c8h18-2 1.000e+13 0.00 0.000 ic3h7 + c5h11-1 = c8h18-2 8.000e+12 0.00 0.000 ic4h9 + pc4h9 = c8h18-2 8.000e+12 0.00 0.000 dc5h11 + nc3h7 = c8h18-2 8.000e+12 0.00 0.000 ec6h13 + c2h5 = c8h18-2 8.000e+12 0.00 0.000 c7h15-2f + ch3 = c8h18-2 1.000e+13 0.00 0.000 ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! class 2 h atom abstraction from fuel c7h16-2 + h = c7h15-2a + h2 1.330e+06 2.54 6.756e+03 c7h16-2 + h = c7h15-2b + h2 6.020e+05 2.40 2.583e+03 c7h16-2 + h = c7h15-2c + h2 1.300e+06 2.40 4.471e+03 c7h16-2 + h = c7h15-2d + h2 1.300e+06 2.40 4.471e+03 c7h16-2 + h = c7h15-2e + h2 1.300e+06 2.40 4.471e+03 c7h16-2 + h = c7h15-2f + h2 6.660e+05 2.54 6.756e+03 ! ! c7h16-2 + o = c7h15-2a + oh 1.960e+06 2.43 4.750e+03 c7h16-2 + o = c7h15-2b + oh 3.830e+05 2.41 1.140e+03 c7h16-2 + o = c7h15-2c + oh 5.520e+05 2.45 2.830e+03 c7h16-2 + o = c7h15-2d + oh 5.520e+05 2.45 2.830e+03 c7h16-2 + o = c7h15-2e + oh 5.520e+05 2.45 2.830e+03 c7h16-2 + o = c7h15-2f + oh 9.810e+05 2.43 4.750e+03 ! ! c7h16-2 + oh = c7h15-2a + h2o 1.056e+10 0.97 1.590e+03 c7h16-2 + oh = c7h15-2b + h2o 5.730e+10 0.51 6.300e+01 c7h16-2 + oh = c7h15-2c + h2o 4.680e+07 1.61 -3.500e+01 c7h16-2 + oh = c7h15-2d + h2o 4.680e+07 1.61 -3.500e+01 c7h16-2 + oh = c7h15-2e + h2o 4.680e+07 1.61 -3.500e+01 c7h16-2 + oh = c7h15-2f + h2o 5.280e+09 0.97 1.590e+03 ! ! c7h16-2 + ch3 = c7h15-2a + ch4 9.040e-01 3.65 7.154e+03 c7h16-2 + ch3 = c7h15-2b + ch4 6.010e-10 6.36 8.930e+02 c7h16-2 + ch3 = c7h15-2c + ch4 1.510e+00 3.46 5.481e+03 c7h16-2 + ch3 = c7h15-2d + ch4 1.510e+00 3.46 5.481e+03 c7h16-2 + ch3 = c7h15-2e + ch4 1.510e+00 3.46 5.481e+03 c7h16-2 + ch3 = c7h15-2f + ch4 4.520e-01 3.65 7.154e+03 ! ! c7h16-2 + ho2 = c7h15-2a + h2o2 4.080e+01 3.59 1.716e+04 c7h16-2 + ho2 = c7h15-2b + h2o2 6.500e+02 3.01 1.209e+04 c7h16-2 + ho2 = c7h15-2c + h2o2 6.320e+01 3.37 1.372e+04 c7h16-2 + ho2 = c7h15-2d + h2o2 6.320e+01 3.37 1.372e+04 c7h16-2 + ho2 = c7h15-2e + h2o2 6.320e+01 3.37 1.372e+04 c7h16-2 + ho2 = c7h15-2f + h2o2 2.040e+01 3.59 1.716e+04 ! ! c7h16-2 + ch3o = c7h15-2a + ch3oh 4.338e+11 0.00 6.548e+03 c7h16-2 + ch3o = c7h15-2b + ch3oh 2.290e+10 0.00 2.873e+03 c7h16-2 + ch3o = c7h15-2c + ch3oh 1.450e+11 0.00 4.571e+03 c7h16-2 + ch3o = c7h15-2d + ch3oh 1.450e+11 0.00 4.571e+03 c7h16-2 + ch3o = c7h15-2e + ch3oh 1.450e+11 0.00 4.571e+03 c7h16-2 + ch3o = c7h15-2f + ch3oh 2.169e+11 0.00 6.548e+03 ! ! c7h16-2 + o2 = c7h15-2a + ho2 6.000e+13 0.00 5.229e+04 c7h16-2 + o2 = c7h15-2b + ho2 1.000e+13 0.00 4.820e+04 c7h16-2 + o2 = c7h15-2c + ho2 2.000e+13 0.00 4.964e+04 c7h16-2 + o2 = c7h15-2d + ho2 2.000e+13 0.00 4.964e+04 c7h16-2 + o2 = c7h15-2e + ho2 2.000e+13 0.00 4.964e+04 c7h16-2 + o2 = c7h15-2f + ho2 3.000e+13 0.00 5.280e+04 ! ! c7h16-2 + c2h5 = c7h15-2a + c2h6 1.000e+11 0.00 1.340e+04 c7h16-2 + c2h5 = c7h15-2b + c2h6 1.000e+11 0.00 7.900e+03 c7h16-2 + c2h5 = c7h15-2c + c2h6 5.000e+10 0.00 1.040e+04 c7h16-2 + c2h5 = c7h15-2d + c2h6 5.000e+10 0.00 1.040e+04 c7h16-2 + c2h5 = c7h15-2e + c2h6 5.000e+10 0.00 1.040e+04 c7h16-2 + c2h5 = c7h15-2f + c2h6 5.000e+10 0.00 1.340e+04 ! ! c7h16-2 + c2h3 = c7h15-2a + c2h4 1.000e+12 0.00 1.800e+04 c7h16-2 + c2h3 = c7h15-2b + c2h4 2.000e+11 0.00 1.430e+04 c7h16-2 + c2h3 = c7h15-2c + c2h4 4.000e+11 0.00 1.680e+04 c7h16-2 + c2h3 = c7h15-2d + c2h4 4.000e+11 0.00 1.680e+04 c7h16-2 + c2h3 = c7h15-2e + c2h4 4.000e+11 0.00 1.680e+04 c7h16-2 + c2h3 = c7h15-2f + c2h4 5.000e+11 0.00 1.800e+04 ! ! c7h16-2 + ch3o2 = c7h15-2a + ch3o2h 1.386e+00 3.97 1.828e+04 c7h16-2 + ch3o2 = c7h15-2b + ch3o2h 2.060e+02 3.12 1.319e+04 c7h16-2 + ch3o2 = c7h15-2c + ch3o2h 1.0185e+01 3.58 1.481e+04 c7h16-2 + ch3o2 = c7h15-2d + ch3o2h 1.0185e+01 3.58 1.481e+04 c7h16-2 + ch3o2 = c7h15-2e + ch3o2h 1.0185e+01 3.58 1.481e+04 c7h16-2 + ch3o2 = c7h15-2f + ch3o2h 6.930e-01 3.97 1.828e+04 ! ! c7h16-2 + c7h15-2a = c7h15-2b + c7h16-2 2.500e+10 0.00 7.900e+03 rev / 1.500e+11 0.00 1.230e+04 / c7h16-2 + c7h15-2a = c7h15-2c + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c7h16-2 + c7h15-2a = c7h15-2d + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c7h16-2 + c7h15-2a = c7h15-2e + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c7h16-2 + c7h15-2a = c7h15-2f + c7h16-2 7.500e+10 0.00 1.230e+04 rev / 1.500e+11 0.00 1.230e+04 / ! ! c7h16-2 + c7h15-2b = c7h15-2c + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c7h16-2 + c7h15-2b = c7h15-2d + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c7h16-2 + c7h15-2b = c7h15-2e + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c7h16-2 + c7h15-2b = c7h15-2f + c7h16-2 7.500e+10 0.00 1.230e+04 rev / 2.500e+10 0.00 7.900e+03 / ! ! c7h16-2 + c7h15-2c = c7h15-2d + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c7h16-2 + c7h15-2c = c7h15-2e + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c7h16-2 + c7h15-2c = c7h15-2f + c7h16-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! c7h16-2 + c7h15-2d = c7h15-2e + c7h16-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c7h16-2 + c7h15-2d = c7h15-2f + c7h16-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! c7h16-2 + c7h15-2e = c7h15-2f + c7h16-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! class 2 h atom abstraction from fuel c8h18-2 + h = c8h17-2a + h2 1.330e+06 2.54 6.756e+03 c8h18-2 + h = c8h17-2b + h2 6.020e+05 2.40 2.583e+03 c8h18-2 + h = c8h17-2c + h2 1.300e+06 2.40 4.471e+03 c8h18-2 + h = c8h17-2d + h2 1.300e+06 2.40 4.471e+03 c8h18-2 + h = c8h17-2e + h2 1.300e+06 2.40 4.471e+03 c8h18-2 + h = c8h17-2f + h2 1.300e+06 2.40 4.471e+03 c8h18-2 + h = c8h17-2g + h2 6.660e+05 2.54 6.756e+03 ! ! c8h18-2 + o = c8h17-2a + oh 1.960e+06 2.43 4.750e+03 c8h18-2 + o = c8h17-2b + oh 3.830e+05 2.41 1.140e+03 c8h18-2 + o = c8h17-2c + oh 5.520e+05 2.45 2.830e+03 c8h18-2 + o = c8h17-2d + oh 5.520e+05 2.45 2.830e+03 c8h18-2 + o = c8h17-2e + oh 5.520e+05 2.45 2.830e+03 c8h18-2 + o = c8h17-2f + oh 5.520e+05 2.45 2.830e+03 c8h18-2 + o = c8h17-2g + oh 9.810e+05 2.43 4.750e+03 ! ! c8h18-2 + oh = c8h17-2a + h2o 1.056e+10 0.97 1.590e+03 c8h18-2 + oh = c8h17-2b + h2o 5.730e+10 0.51 6.300e+01 c8h18-2 + oh = c8h17-2c + h2o 4.680e+07 1.61 -3.500e+01 c8h18-2 + oh = c8h17-2d + h2o 4.680e+07 1.61 -3.500e+01 c8h18-2 + oh = c8h17-2e + h2o 4.680e+07 1.61 -3.500e+01 c8h18-2 + oh = c8h17-2f + h2o 4.680e+07 1.61 -3.500e+01 c8h18-2 + oh = c8h17-2g + h2o 5.280e+09 0.97 1.590e+03 ! ! c8h18-2 + ch3 = c8h17-2a + ch4 9.040e-01 3.65 7.154e+03 c8h18-2 + ch3 = c8h17-2b + ch4 6.010e-10 6.36 8.930e+02 c8h18-2 + ch3 = c8h17-2c + ch4 1.510e+00 3.46 5.481e+03 c8h18-2 + ch3 = c8h17-2d + ch4 1.510e+00 3.46 5.481e+03 c8h18-2 + ch3 = c8h17-2e + ch4 1.510e+00 3.46 5.481e+03 c8h18-2 + ch3 = c8h17-2f + ch4 1.510e+00 3.46 5.481e+03 c8h18-2 + ch3 = c8h17-2g + ch4 4.520e-01 3.65 7.154e+03 ! ! c8h18-2 + ho2 = c8h17-2a + h2o2 4.080e+01 3.59 1.716e+04 c8h18-2 + ho2 = c8h17-2b + h2o2 6.500e+02 3.01 1.209e+04 c8h18-2 + ho2 = c8h17-2c + h2o2 6.320e+01 3.37 1.372e+04 c8h18-2 + ho2 = c8h17-2d + h2o2 6.320e+01 3.37 1.372e+04 c8h18-2 + ho2 = c8h17-2e + h2o2 6.320e+01 3.37 1.372e+04 c8h18-2 + ho2 = c8h17-2f + h2o2 6.320e+01 3.37 1.372e+04 c8h18-2 + ho2 = c8h17-2g + h2o2 2.040e+01 3.59 1.716e+04 ! ! c8h18-2 + ch3o = c8h17-2a + ch3oh 4.338e+11 0.00 6.548e+03 c8h18-2 + ch3o = c8h17-2b + ch3oh 2.290e+10 0.00 2.873e+03 c8h18-2 + ch3o = c8h17-2c + ch3oh 1.450e+11 0.00 4.571e+03 c8h18-2 + ch3o = c8h17-2d + ch3oh 1.450e+11 0.00 4.571e+03 c8h18-2 + ch3o = c8h17-2e + ch3oh 1.450e+11 0.00 4.571e+03 c8h18-2 + ch3o = c8h17-2f + ch3oh 1.450e+11 0.00 4.571e+03 c8h18-2 + ch3o = c8h17-2g + ch3oh 2.169e+11 0.00 6.548e+03 ! ! c8h18-2 + o2 = c8h17-2a + ho2 6.000e+13 0.00 5.229e+04 c8h18-2 + o2 = c8h17-2b + ho2 1.000e+13 0.00 4.820e+04 c8h18-2 + o2 = c8h17-2c + ho2 2.000e+13 0.00 4.964e+04 c8h18-2 + o2 = c8h17-2d + ho2 2.000e+13 0.00 4.964e+04 c8h18-2 + o2 = c8h17-2e + ho2 2.000e+13 0.00 4.964e+04 c8h18-2 + o2 = c8h17-2f + ho2 2.000e+13 0.00 4.964e+04 c8h18-2 + o2 = c8h17-2g + ho2 3.000e+13 0.00 5.280e+04 ! ! c8h18-2 + c2h5 = c8h17-2a + c2h6 1.000e+11 0.00 1.340e+04 c8h18-2 + c2h5 = c8h17-2b + c2h6 1.000e+11 0.00 7.900e+03 c8h18-2 + c2h5 = c8h17-2c + c2h6 5.000e+10 0.00 1.040e+04 c8h18-2 + c2h5 = c8h17-2d + c2h6 5.000e+10 0.00 1.040e+04 c8h18-2 + c2h5 = c8h17-2e + c2h6 5.000e+10 0.00 1.040e+04 c8h18-2 + c2h5 = c8h17-2f + c2h6 5.000e+10 0.00 1.040e+04 c8h18-2 + c2h5 = c8h17-2g + c2h6 5.000e+10 0.00 1.340e+04 ! ! c8h18-2 + c2h3 = c8h17-2a + c2h4 1.000e+12 0.00 1.800e+04 c8h18-2 + c2h3 = c8h17-2b + c2h4 2.000e+11 0.00 1.430e+04 c8h18-2 + c2h3 = c8h17-2c + c2h4 4.000e+11 0.00 1.680e+04 c8h18-2 + c2h3 = c8h17-2d + c2h4 4.000e+11 0.00 1.680e+04 c8h18-2 + c2h3 = c8h17-2e + c2h4 4.000e+11 0.00 1.680e+04 c8h18-2 + c2h3 = c8h17-2f + c2h4 4.000e+11 0.00 1.680e+04 c8h18-2 + c2h3 = c8h17-2g + c2h4 5.000e+11 0.00 1.800e+04 ! ! c8h18-2 + ch3o2 = c8h17-2a + ch3o2h 1.386e+00 3.97 1.828e+04 c8h18-2 + ch3o2 = c8h17-2b + ch3o2h 2.060e+02 3.12 1.319e+04 c8h18-2 + ch3o2 = c8h17-2c + ch3o2h 1.0185e+01 3.58 1.481e+04 c8h18-2 + ch3o2 = c8h17-2d + ch3o2h 1.0185e+01 3.58 1.481e+04 c8h18-2 + ch3o2 = c8h17-2e + ch3o2h 1.0185e+01 3.58 1.481e+04 c8h18-2 + ch3o2 = c8h17-2f + ch3o2h 1.0185e+01 3.58 1.481e+04 c8h18-2 + ch3o2 = c8h17-2g + ch3o2h 6.930e-01 3.97 1.828e+04 ! ! c8h18-2 + c8h17-2a = c8h17-2b + c8h18-2 2.500e+10 0.00 7.900e+03 rev / 1.500e+11 0.00 1.230e+04 / c8h18-2 + c8h17-2a = c8h17-2c + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c8h18-2 + c8h17-2a = c8h17-2d + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c8h18-2 + c8h17-2a = c8h17-2e + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 1.500e+11 0.00 1.230e+04 / c8h18-2 + c8h17-2a = c8h17-2f + c8h18-2 5.000e+10 0.00 1.230e+04 rev / 1.500e+11 0.00 1.040e+04 / c8h18-2 + c8h17-2a = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 1.500e+11 0.00 1.230e+04 / ! ! c8h18-2 + c8h17-2b = c8h17-2c + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c8h18-2 + c8h17-2b = c8h17-2d + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c8h18-2 + c8h17-2b = c8h17-2e + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c8h18-2 + c8h17-2b = c8h17-2f + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 2.500e+10 0.00 7.900e+03 / c8h18-2 + c8h17-2b = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 2.500e+10 0.00 7.900e+03 / ! ! c8h18-2 + c8h17-2c = c8h17-2d + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2c = c8h17-2e + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2c = c8h17-2f + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2c = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! c8h18-2 + c8h17-2d = c8h17-2e + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2d = c8h17-2f + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2d = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! c8h18-2 + c8h17-2e = c8h17-2f + c8h18-2 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 1.040e+04 / c8h18-2 + c8h17-2e = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! c8h18-2 + c8h17-2f = c8h17-2g + c8h18-2 7.500e+10 0.00 1.230e+04 rev / 5.000e+10 0.00 1.040e+04 / ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! class 3 alkyl radical decomposition ! ! c7h15-2a = pc4h9 + c3h6 3.68E+15 -0.56 31359 c7h15-2a = ch3 + c6h12-1 9.55E+14 -0.59 30592 h + c7h14-1-2 = c7h15-2a 2.500e+11 0.51 2620.0 ! c7h15-2b = nc3h7 + ic4h8 1.71E+12 0.31 26610 h + c7h14-1-2 = c7h15-2b 4.240e+11 0.51 1230.0 h + c7h14-2-2 = c7h15-2b 2.500e+11 0.51 2620.0 ! c7h15-2c = c2h5 + cc5h10 3.08E+13 0.03 28992 c7h15-2c = ch3 + c6h12-2 1.77E+13 0.11 30542 h + c7h14-2-2 = c7h15-2c 2.500e+11 0.51 2620.0 h + c7h14-3-2 = c7h15-2c 2.500e+11 0.51 2620.0 ! c7h15-2d = ic3h7 + c4h8-1 6.98E+12 0.16 24963 c7h15-2d = ch3 + dc6h12 9.55E+14 -0.59 30592 h + c7h14-3-2 = c7h15-2d 2.500e+11 0.51 2620.0 h + c7h14-4-2 = c7h15-2d 2.500e+11 0.51 2620.0 ! c7h15-2e = ic4h9 + c3h6 1.06E+13 0.07 27125 h + c7h14-4-2 = c7h15-2e 2.500e+11 0.51 2620.0 h + c7h14-5-2 = c7h15-2e 2.500e+11 0.51 2620.0 ! c7h15-2f = dc5h11 + c2h4 2.64E+15 -0.55 31136 h + c7h14-5-2 = c7h15-2f 2.500e+11 0.51 2620.0 ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! class 3 alkyl radical decomposition ! ! c8h17-2a = c5h11-1 + c3h6 3.68E+15 -0.56 31359 c8h17-2a = ch3 + c7h14-1 9.55E+14 -0.59 30592 h + c8h16-1-2 = c8h17-2a 2.500e+11 0.51 2620.0 ! c8h17-2b = pc4h9 + ic4h8 1.71E+12 0.31 26610 h + c8h16-1-2 = c8h17-2b 4.240e+11 0.51 1230.0 h + c8h16-2-2 = c8h17-2b 2.500e+11 0.51 2620.0 ! c8h17-2c = nc3h7 + cc5h10 3.08E+13 0.03 28992 c8h17-2c = ch3 + c7h14-2 1.77E+13 0.11 30542 h + c8h16-2-2 = c8h17-2c 2.500e+11 0.51 2620.0 h + c8h16-3-2 = c8h17-2c 2.500e+11 0.51 2620.0 ! c8h17-2d = ic3h7 + c5h10-1 6.98E+12 0.16 24963 c8h17-2d = c2h5 + dc6h12 3.08E+13 0.03 28992 h + c8h16-3-2 = c8h17-2d 2.500e+11 0.51 2620.0 h + c8h16-4-2 = c8h17-2d 2.500e+11 0.51 2620.0 ! c8h17-2e = ic4h9 + c4h8-1 6.98E+12 0.16 24963 c8h17-2e = ch3 + c7h14-5-2 9.55E+14 -0.59 30592 h + c8h16-4-2 = c8h17-2e 2.500e+11 0.51 2620.0 h + c8h16-5-2 = c8h17-2e 2.500e+11 0.51 2620.0 ! c8h17-2f = dc5h11 + c3h6 1.06E+13 0.07 27125 h + c8h16-5-2 = c8h17-2f 2.500e+11 0.51 2620.0 h + c8h16-6-2 = c8h17-2f 2.500e+11 0.51 2620.0 ! ! c8h17-2g = ec6h13 + c2h4 2.64E+15 -0.55 31136 h + c8h16-6-2 = c8h17-2g 2.500e+11 0.51 2620.0 ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! class 4 alkyl radical isomerization ! include 5, 6, and 7 membered transition state rings only ! c7h15-2a = c7h15-2d 6.92E+00 3.20 1.6558E+04 !Tsang 2007 1-c6h13=3-c6h13 5m p-s c7h15-2a = c7h15-2e 1.82E+02 2.55 1.0960E+04 !Tsang 2007 1-c6h13=2-c6h13 6m p-s c7h15-2a = c7h15-2f 6.69E+02 2.31 1.395E+04 !Awan 2010 6-5MeJ=1-5MeH, 7m p-p c7h15-2b = c7h15-2e 1.27e+01 3.07 1.744e+04 !Awan 2010 5-5meH=2-5meH, 5m t-s c7h15-2b = c7h15-2f 4.86e+01 2.62 1.200e+04 !Awan 2010 5-5meH=1-5meH, 6m t-p c7h15-2f = c7h15-2c 6.92E+00 3.20 1.6558E+04 !Tsang 2007 1-c6h13=3-c6h13 5m p-s ! ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! class 4 alkyl radical isomerization ! include 5, 6 and 7 membered transition state rings ! ! c8h17-2a = c8h17-2d 6.92E+00 3.20 1.6558E+04 !Tsang 2007 1-c6h13=3-c6h13 5m p-s c8h17-2a = c8h17-2e 1.82E+02 2.55 1.0960E+04 !Tsang 2007 1-c6h13=2-c6h13 6m p-s c8h17-2a = c8h17-2f 2.96E+00 3.08 1.102E+04 !Tsang 2009 1-octyl=3-octyl. 7m p-s c8h17-2b = c8h17-2e 1.27e+01 3.07 1.744e+04 !Awan 2010 5-5meH=2-5meH, 5m t-s c8h17-2b = c8h17-2f 4.11e+02 2.42 1.150e+04 !Awan 2010 5-5meH=1-5meH, 6m t-s c8h17-2b = c8h17-2g 4.05e+00 2.51 1.38e+04 !estimated by Mani Sarathy 2010, 7m t-p c8h17-2c = c8h17-2f 1.42E+00 3.32 1.614E+04 !Tsang 2009 2-octy=4octyl, 5m s-s c8h17-2g = c8h17-2c 1.82E+02 2.55 1.0960E+04 !Tsang 2007 1-c6h13=2-c6h13 6m p-s c8h17-2g = c8h17-2d 6.92E+00 3.20 1.6558E+04 !Tsang 2007 1-c6h13=3-c6h13 5m p-s ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! class 5 ! h atom abstraction from alkenes by oh, ho2, h, ch3, and o ! ! ! the following are global reactions used for simplicity. abstractions form a c7h13-1-2 radical which is a lump of all possible radicals c7h14-1-2 + oh = c7h13-1-2 + h2o 3.280e+08 1.61 -3.500e+01 c7h14-2-2 + oh = c7h13-1-2 + h2o 3.280e+08 1.61 -3.500e+01 c7h14-3-2 + oh = c7h13-1-2 + h2o 3.280e+08 1.61 -3.500e+01 c7h14-4-2 + oh = c7h13-1-2 + h2o 3.280e+08 1.61 -3.500e+01 c7h14-5-2 + oh = c7h13-1-2 + h2o 3.280e+08 1.61 -3.500e+01 ! ! c7h14-1-2 + ho2 = c7h13-1-2 + h2o2 4.420e+02 3.37 1.372e+04 c7h14-2-2 + ho2 = c7h13-1-2 + h2o2 4.420e+02 3.37 1.372e+04 c7h14-3-2 + ho2 = c7h13-1-2 + h2o2 4.420e+02 3.37 1.372e+04 c7h14-4-2 + ho2 = c7h13-1-2 + h2o2 4.420e+02 3.37 1.372e+04 c7h14-5-2 + ho2 = c7h13-1-2 + h2o2 4.420e+02 3.37 1.372e+04 ! ! ! the following are global reactions used for simplicity. abstractions form a c7h13-1-2 radical which is a lump of all possible radicals c7h14-1-2 + h = c7h13-1-2 + h2 9.100E+06 2.40 4.471E+03 c7h14-2-2 + h = c7h13-1-2 + h2 9.100E+06 2.40 4.471E+03 c7h14-3-2 + h = c7h13-1-2 + h2 9.100E+06 2.40 4.471E+03 c7h14-4-2 + h = c7h13-1-2 + h2 9.100E+06 2.40 4.471E+03 c7h14-5-2 + h = c7h13-1-2 + h2 9.100E+06 2.40 4.471E+03 ! ! the following are global reactions used for simplicity. abstractions form a c7h13-1-2 radical which is a lump of all possible radicals c7h14-1-2 + ch3 = c7h13-1-2 + ch4 1.060e+01 3.46 5.481e+03 c7h14-2-2 + ch3 = c7h13-1-2 + ch4 1.060e+01 3.46 5.481e+03 c7h14-3-2 + ch3 = c7h13-1-2 + ch4 1.060e+01 3.46 5.481e+03 c7h14-4-2 + ch3 = c7h13-1-2 + ch4 1.060e+01 3.46 5.481e+03 c7h14-5-2 + ch3 = c7h13-1-2 + ch4 1.060e+01 3.46 5.481e+03 ! ! ! the following are global reactions used for simplicity. abstractions form a c7h13-1-2 radical which is a lump of all possible radicals c7h14-1-2 + o = c7h13-1-2 + oh 3.860e+06 2.45 2.830e+03 c7h14-2-2 + o = c7h13-1-2 + oh 3.860e+06 2.45 2.830e+03 c7h14-3-2 + o = c7h13-1-2 + oh 3.860e+06 2.45 2.830e+03 c7h14-4-2 + o = c7h13-1-2 + oh 3.860e+06 2.45 2.830e+03 c7h14-5-2 + o = c7h13-1-2 + oh 3.860e+06 2.45 2.830e+03 ! ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! class 5 ! h atom abstraction from alkenes by oh, h, ch3, and o ! ! ! the following are global reactions used for simplicity. abstractions form a c8h15-1-2 radical which is a lump of all possible radicals c8h16-1-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-2-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-3-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-4-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-5-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-6-2 + oh = c8h15-1-2 + h2o 3.740e+08 1.61 -3.500e+01 ! ! c8h16-1-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-2-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-3-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-4-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-5-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-6-2 + ho2 = c8h15-1-2 + h2o2 5.060e+02 3.37 1.372e+04 ! ! the following are global reactions used for simplicity. abstractions form a c8h15-1-2 radical which is a lump of all possible radicals c8h16-1-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 c8h16-2-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 c8h16-3-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 c8h16-4-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 c8h16-5-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 c8h16-6-2 + h = c8h15-1-2 + h2 1.040E+07 2.40 4.471E+03 ! ! the following are global reactions used for simplicity. abstractions form a c8h15-1-2 radical which is a lump of all possible radicals c8h16-1-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 c8h16-2-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 c8h16-3-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 c8h16-4-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 c8h16-5-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 c8h16-6-2 + ch3 = c8h15-1-2 + ch4 1.210e+01 3.46 5.481e+03 ! ! the following are global reactions used for simplicity. abstractions form a c8h15-1-2 radical which is a lump of all possible radicals c8h16-1-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 c8h16-2-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 c8h16-3-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 c8h16-4-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 c8h16-5-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 c8h16-6-2 + o = c8h15-1-2 + oh 4.420e+06 2.45 2.830e+03 ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! class 6 addition of radical species to alkenes ! ! c7h14-1-2 + oh = ch2o + c6h13-2 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-1-2 + oh = ch3coch3 + pc4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-2-2 + oh = ch3coch3 + pc4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-3-2 + oh = c2h5cho + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-4-2 + oh = c2h5cho + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-4-2 + oh = ch3cho + dc5h11 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-5-2 + oh = ch3cho + dc5h11 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-5-2 + oh = ch2o + ec6h13 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / ! c7h14-1-2 + o = ch2o + c6h12-2 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-1-2 + o = ch3coch3 + c4h8-1 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-2-2 + o = ch3coch3 + c4h8-1 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-3-2 + o = c2h5cho + ic4h8 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-4-2 + o = c2h5cho + ic4h8 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-4-2 + o = ch3cho + cc5h10 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-5-2 + o = ch3cho + cc5h10 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-5-2 + o = ch2o + dc6h12 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! ! ! ! ! ! ! class 6 addition of radical species to alkenes ! ! c8h16-1-2 + oh = ch2o + c7h15-2 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-1-2 + oh = ch3coch3 + c5h11-1 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-2-2 + oh = ch3coch3 + c5h11-1 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-3-2 + oh = nc3h7cho + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-4-2 + oh = nc3h7cho + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-4-2 + oh = c2h5cho + dc5h11 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-5-2 + oh = c2h5cho + dc5h11 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-5-2 + oh = ch3cho + ec6h13 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-6-2 + oh = ch3cho + ec6h13 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-6-2 + oh = ch2o + c7h15-2f 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / ! c8h16-1-2 + o = ch2o + c7h14-2 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-1-2 + o = ch3coch3 + c5h10-1 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-2-2 + o = ch3coch3 + c5h10-1 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-3-2 + o = nc3h7cho + ic4h8 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-4-2 + o = nc3h7cho + ic4h8 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-4-2 + o = c2h5cho + cc5h10 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-5-2 + o = c2h5cho + cc5h10 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-5-2 + o = ch3cho + dc6h12 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-6-2 + o = ch3cho + dc6h12 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-6-2 + o = ch2o + c7h14-5-2 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! ! ! 2-methylhexane ! class 7 ! c7h13-1-2+ho2<=>ac3h5cho+nc3h7 + oh 9.640e+12 0.00 0.000e+00 c7h13-1-2+ch3o2<=>ac3h5cho+nc3h7+ch3o 9.640e+12 0.00 0.000e+00 c7h13-1-2+c2h5o2<=>ac3h5cho+nc3h7+c2h5o 9.640e+12 0.00 0.000e+00 ! ! ! 2-methylheptane ! class 7 ! c8h15-1-2+ho2<=>ac3h5cho+pc4h9 + oh 9.640e+12 0.00 0.000e+00 c8h15-1-2+ch3o2<=>ac3h5cho+pc4h9+ch3o 9.640e+12 0.00 0.000e+00 c8h15-1-2+c2h5o2<=>ac3h5cho+pc4h9+c2h5o 9.640e+12 0.00 0.000e+00 ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 8 alkenyl radical decomposition global reactions ! ! ! the complexity of this section is reduced since only one global alkenyl radical was formed in class 5 (i.e., c7h13-1-2a) c7h13-1-2 = c3h6 + c4h71-4 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c7h13-1-2 = ic4h8 + c3h5-a 2.50E+13 0.00 2.500E+04 rev / 1.000E+11 0.00 9.600E+03 / c7h13-1-2 = cc5h10 + c2h3 2.50E+13 0.00 3.500E+04 rev / 1.000E+11 0.00 9.600E+03 / ! c7h13-1-2 = c3h5-t + c4h8-1 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c7h13-1-2 = ic4h7 + c3h6 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c7h13-1-2 = ic5h9 + c2h4 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / ! ! ! ! 2-methylheptane ! ! ! ! ! class 8 alkenyl radical decomposition global reactions ! ! c8h15-1-2 = c3h6 + c5h91-5 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = ic4h8 + c4h71-4 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = cc5h10 + c3h5-a 2.50E+13 0.00 2.500E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = dc6h12 + c2h3 2.50E+13 0.00 3.500E+04 rev / 1.000E+11 0.00 9.600E+03 / ! c8h15-1-2 = c3h5-t + c5h10-1 2.50E+13 0.00 2.500E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = ic4h7 + c4h8-1 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = ic5h9 + c3h6 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-2 = ic6h11 + c2h4 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 9 decomposition of alkenes ! ! c7h14-1-2 = ic4h7 + nc3h7 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c7h14-2-2 = ic5h9 + c2h5 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c7h14-3-2 = ic6h11 + ch3 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / ! ! c7h14-4-2 = ic3h7 + c4h71-4 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c7h14-5-2 = ic4h7 + nc3h7 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / ! ! ! ! 2-methylheptane ! ! ! ! ! class 9 decomposition of alkenes ! ! c8h16-1-2 = ic4h7 + pc4h9 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c8h16-2-2 = ic5h9 + nc3h7 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c8h16-3-2 = ic6h11 + c2h5 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c8h16-4-2 = c7h13-1-2 + ch3 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / ! ! c8h16-4-2 = ic3h7 + c5h91-5 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c8h16-5-2 = ic4h7 + pc4h9 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / c8h16-6-2 = ic5h9 + nc3h7 2.50e+16 0 71000 rev / 1.000E+13 0.00 0.000E+00 / ! ! ! ! ! ! ! ! ! ! ! ! 2-methylhexane ! ! ! ! ! ! ! ! ! ! class 10 retroene reactions ! ! ! ! c7h14-1-2 = c4h8-1 + c3h6 3.98e+12 0 57629 c8h16-1-2 = c5h10-1 + c3h6 3.98e+12 0 57629 ! ! c7h14-2-2 = c2h4 + cc5h10 3.98e+12 0 57629 c8h16-2-2 = c3h6 + cc5h10 3.98e+12 0 57629 ! ! ! ! c8h16-3-2 = c2h4 + dc6h12 3.98e+12 0 57629 ! ! c7h14-4-2 = c4h8-1 + c3h6 3.98e+12 0 57629 c8h16-4-2 = c5h10-1 + c3h6 3.98e+12 0 57629 ! ! c7h14-5-2 = c3h6 + ic4h8 3.98e+12 0 57629 c8h16-5-2 = c4h8-1 + ic4h8 3.98e+12 0 57629 ! ! c8h16-6-2 = c3h6 + cc5h10 3.98e+12 0 57629 ! ! ! ! ! ************ symmetric dimethyl alkanes (2, n-1) **************** ! ! 2,4-dimethyl pentane, 2,5-dimethyl hexane, 2,6-dimethylheptane, 2,7-dimethyloctane ! ! ! class 1 unimolecular fuel decomposition ! ! ! ! 2,4-dimethyl pentane ! ! c7h15-24a + h = c7h16-24 1.000e+14 0.00 0.000 c7h15-24b + h = c7h16-24 1.000e+14 0.00 0.000 c7h15-24c + h = c7h16-24 1.000e+14 0.00 0.000 ! ! ch3 + dc6h13 = c7h16-24 1.000e+13 0.00 0.000 ic3h7 + ic4h9 = c7h16-24 8.000e+12 0.00 0.000 ! ! ! ! 2,5-dimethyl hexane ! ! ! ! ! c8h17-25a + h = c8h18-25 1.000e+14 0.00 0.000 c8h17-25b + h = c8h18-25 1.000e+14 0.00 0.000 c8h17-25c + h = c8h18-25 1.000e+14 0.00 0.000 ! ch3 + c7h15-2e = c8h18-25 1.000e+13 0.00 0.000 ! ic3h7 + dc5h11 = c8h18-25 4.000e+13 0.00 0.000 ! ic4h9 + ic4h9 = c8h18-25 8.000e+12 0.00 0.000 ! ! ! ! class 2 h atom abstraction from fuel ! ! ! ! ! 2,4-dimethyl pentane ! ! c7h16-24 + h = c7h15-24a + h2 2.660e+06 2.54 6.756e+03 c7h16-24 + h = c7h15-24b + h2 1.204e+06 2.40 2.583e+03 c7h16-24 + h = c7h15-24c + h2 1.300e+06 2.40 4.471e+03 ! ! ! c7h16-24 + o = c7h15-24a + oh 3.920e+06 2.43 4.750e+03 c7h16-24 + o = c7h15-24b + oh 7.660e+05 2.41 1.140e+03 c7h16-24 + o = c7h15-24c + oh 5.520e+05 2.45 2.830e+03 ! ! ! c7h16-24 + oh = c7h15-24a + h2o 2.112e+10 0.97 1.590e+03 c7h16-24 + oh = c7h15-24b + h2o 1.146e+11 0.51 6.300e+01 c7h16-24 + oh = c7h15-24c + h2o 9.360e+07 1.61 -3.500e+01 ! ! ! c7h16-24 + ch3 = c7h15-24a + ch4 1.808e+00 3.65 7.154e+03 c7h16-24 + ch3 = c7h15-24b + ch4 1.202e-09 6.36 8.930e+02 c7h16-24 + ch3 = c7h15-24c + ch4 1.510e+00 3.46 5.481e+03 ! ! ! c7h16-24 + ho2 = c7h15-24a + h2o2 8.160e+01 3.59 1.716e+04 c7h16-24 + ho2 = c7h15-24b + h2o2 1.300e+03 3.01 1.209e+04 c7h16-24 + ho2 = c7h15-24c + h2o2 6.320e+01 3.37 1.372e+04 ! ! ! c7h16-24 + ch3o = c7h15-24a + ch3oh 8.676e+11 0.00 6.548e+03 c7h16-24 + ch3o = c7h15-24b + ch3oh 4.580e+05 0.00 2.873e+03 c7h16-24 + ch3o = c7h15-24c + ch3oh 2.900e+11 0.00 4.571e+03 ! ! ! c7h16-24 + o2 = c7h15-24a + ho2 1.200e+14 0.00 5.229e+04 c7h16-24 + o2 = c7h15-24b + ho2 2.000e+13 0.00 4.820e+04 c7h16-24 + o2 = c7h15-24c + ho2 2.000e+13 0.00 4.964e+04 ! ! ! c7h16-24 + c2h5 = c7h15-24a + c2h6 2.000e+11 0.00 1.340e+04 c7h16-24 + c2h5 = c7h15-24b + c2h6 2.000e+11 0.00 7.900e+03 c7h16-24 + c2h5 = c7h15-24c + c2h6 1.000e+11 0.00 1.040e+04 ! ! ! c7h16-24 + c2h3 = c7h15-24a + c2h4 2.000e+12 0.00 1.800e+04 c7h16-24 + c2h3 = c7h15-24b + c2h4 2.000e+11 0.00 1.430e+04 c7h16-24 + c2h3 = c7h15-24c + c2h4 4.000e+11 0.00 1.680e+04 ! ! ! c7h16-24 + ch3o2 = c7h15-24a + ch3o2h 2.772e+00 3.97 1.828e+04 c7h16-24 + ch3o2 = c7h15-24b + ch3o2h 4.120e+02 3.12 1.319e+04 c7h16-24 + ch3o2 = c7h15-24c + ch3o2h 2.037e+01 3.58 1.481e+04 ! ! ! c7h16-24 + c7h15-24a = c7h15-24b + c7h16-24 5.000e+10 0.00 7.900e+03 rev / 3.000e+11 0.00 1.230e+04 / ! c7h16-24 + c7h15-24a = c7h15-24c + c7h16-24 5.000e+10 0.00 1.040e+04 rev / 3.000e+11 0.00 1.230e+04 / ! c7h16-24 + c7h15-24b = c7h15-24c + c7h16-24 5.000e+10 0.00 1.040e+04 rev / 5.000e+10 0.00 7.900e+03 / ! ! ! ! ! ! ! 2,5-dimethyl hexane ! ! ! c8h18-25 + h = c8h17-25a + h2 2.660e+06 2.54 6.756e+03 c8h18-25 + h = c8h17-25b + h2 1.204e+06 2.40 2.583e+03 c8h18-25 + h = c8h17-25c + h2 2.600e+06 2.40 4.471e+03 ! ! c8h18-25 + o = c8h17-25a + oh 3.920e+06 2.43 4.750e+03 c8h18-25 + o = c8h17-25b + oh 7.660e+05 2.41 1.140e+03 c8h18-25 + o = c8h17-25c + oh 1.104e+06 2.45 2.830e+03 ! ! c8h18-25 + oh = c8h17-25a + h2o 2.112e+10 0.97 1.590e+03 c8h18-25 + oh = c8h17-25b + h2o 1.146e+11 0.51 6.300e+01 c8h18-25 + oh = c8h17-25c + h2o 9.360e+07 1.61 -3.500e+01 ! ! c8h18-25 + ch3 = c8h17-25a + ch4 1.808e+00 3.65 7.154e+03 c8h18-25 + ch3 = c8h17-25b + ch4 1.202e-09 6.36 8.930e+02 c8h18-25 + ch3 = c8h17-25c + ch4 3.020e+00 3.46 5.481e+03 ! ! c8h18-25 + ho2 = c8h17-25a + h2o2 8.160e+01 3.59 1.716e+04 !2.450e+02 c8h18-25 + ho2 = c8h17-25b + h2o2 3.900e+03 3.01 1.209e+04 !3.900e+03 c8h18-25 + ho2 = c8h17-25c + h2o2 1.264e+02 3.37 1.372e+04 !3.792e+02 ! ! c8h18-25 + ch3o = c8h17-25a + ch3oh 8.676e+11 0.00 6.548e+03 c8h18-25 + ch3o = c8h17-25b + ch3oh 4.580e+05 0.00 2.873e+03 c8h18-25 + ch3o = c8h17-25c + ch3oh 2.900e+11 0.00 4.571e+03 ! ! c8h18-25 + o2 = c8h17-25a + ho2 1.200e+14 0.00 5.229e+04 c8h18-25 + o2 = c8h17-25b + ho2 2.000e+13 0.00 4.820e+04 c8h18-25 + o2 = c8h17-25c + ho2 4.000e+13 0.00 4.964e+04 ! ! c8h18-25 + c2h5 = c8h17-25a + c2h6 2.000e+11 0.00 1.340e+04 c8h18-25 + c2h5 = c8h17-25b + c2h6 2.000e+11 0.00 7.900e+03 c8h18-25 + c2h5 = c8h17-25c + c2h6 1.000e+11 0.00 1.040e+04 ! ! c8h18-25 + c2h3 = c8h17-25a + c2h4 2.000e+12 0.00 1.800e+04 c8h18-25 + c2h3 = c8h17-25b + c2h4 4.000e+11 0.00 1.430e+04 c8h18-25 + c2h3 = c8h17-25c + c2h4 8.000e+11 0.00 1.680e+04 ! ! c8h18-25 + ch3o2 = c8h17-25a + ch3o2h 2.772e+00 3.97 1.828e+04 c8h18-25 + ch3o2 = c8h17-25b + ch3o2h 4.120e+02 3.12 1.319e+04 c8h18-25 + ch3o2 = c8h17-25c + ch3o2h 2.037e+01 3.58 1.481e+04 ! c8h18-25 + c8h17-25a = c8h17-25b + c8h18-25 5.000e+10 0.00 7.900e+03 rev / 3.000e+11 0.00 1.230e+04 / ! c8h18-25 + c8h17-25a = c8h17-25c + c8h18-25 1.000e+11 0.00 1.040e+04 rev / 3.000e+11 0.00 1.230e+04 / ! c8h18-25 + c8h17-25b = c8h17-25c + c8h18-25 1.000e+11 0.00 1.040e+04 rev / 5.000e+10 0.00 7.900e+03 / ! c8h18-25 + c8h17oo-1-25 = c8h17-25a + c8h17ooh-1-25 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / ! c8h18-25 + c8h17oo-2-25 = c8h17-25a + c8h17ooh-2-25 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / ! c8h18-25 + c8h17oo-3-25 = c8h17-25a + c8h17ooh-3-25 1.210e+13 0.00 2.043e+04 rev/ 1.440e+10 0.00 1.500e+04 / ! c8h18-25 + c8h17oo-1-25 = c8h17-25b + c8h17ooh-1-25 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / ! c8h18-25 + c8h17oo-2-25 = c8h17-25b + c8h17ooh-2-25 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / ! c8h18-25 + c8h17oo-3-25 = c8h17-25b + c8h17ooh-3-25 4.032e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / ! c8h18-25 + c8h17oo-1-25 = c8h17-25c + c8h17ooh-1-25 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / ! c8h18-25 + c8h17oo-2-25 = c8h17-25c + c8h17ooh-2-25 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / ! c8h18-25 + c8h17oo-3-25 = c8h17-25c + c8h17ooh-3-25 8.064e+12 0.00 1.770e+04 rev/ 1.440e+10 0.00 1.500e+04 / ! ! ! class 3 alkyl radical decomposition ! ! ! ! ! 2,4-dimethyl pentane ! ! c7h15-24a = ic4h9 + c3h6 3.68E+15 -0.56 31359.0 c7h15-24a = ch3 + dc6h12 9.55E+14 -0.59 30592.0 h + c7h14-1-24 = c7h15-24a 2.500e+11 0.51 2620.0 ! c7h15-24b = ic3h7 + ic4h8 1.71E+12 0.31 26610.0 h + c7h14-1-24 = c7h15-24b 4.240e+11 0.51 1230.0 h + c7h14-2-24 = c7h15-24b 2.500e+11 0.51 2620.0 ! c7h15-24c = ch3 + cc6h12 3.54E+13 0.11 30542.0 !Ax2 since same rate on two sides h + c7h14-2-24 = c7h15-24c 2.500e+11 0.51 2620.0 ! ! ! ! ! ! ! 2,5-dimethyl hexane ! ! c8h17-25a = dc5h11 + c3h6 3.680E+15 -0.56 31359.0 c8h17-25a = ch3 + c7h14-5-2 9.550E+14 -0.59 30592.0 h + c8h16-1-25 = c8h17-25a 2.500e+11 0.51 2620.0 ! c8h17-25b = ic4h9 + ic4h8 1.710E+12 0.31 26610.0 h + c8h16-1-25 = c8h17-25b 4.240e+11 0.51 1230.0 h + c8h16-2-25 = c8h17-25b 2.500e+11 0.51 2620.0 ! c8h17-25c = ic3h7 + cc5h10 6.98E+12 0.16 24963.0 ! c8h17-25c = ch3 + c7h14-4-2 3.54E+13 0.11 30542.0 !Ax2 since same rate on two sides h + c8h16-2-25 = c8h17-25c 2.500e+11 0.51 2620.0 h + c8h16-3-25 = c8h17-25c 2.500e+11 0.51 2620.0 ! ! ! ! class 4 alkyl radical isomerization ! ! include 5, 6, and 7 membered transition state rings only ! ! ! ! 2,4-dimethyl pentane ! ! c7h15-24b = c7h15-24a 4.86E+02 2.60 1.7718e+04 ! Tsang 2007 1-c6h13=3-c6h13 5m t-p ! ! ! ! ! 2,5-dimethyl hexane ! ! c8h17-25a = c8h17-25c 6.92E+00 3.20 1.6558e+04 ! Tsang 2007 1-c6h13=3-c6h13 5m p-s ! c8h17-25b = c8h17-25a 4.86e+01 2.62 1.200e+04 !Awan 2010 5-5meH=1-5meH, 6m t-p ! ! ! ! ! ! class 5 h atom abstraction from alkenes by oh, ho2, h, ch3, and o ! ! ! ! ! ! 2,4-dimethyl pentane ! ! ! the following are global reactions used for simplicity. ! abstractions form a c7h13-1-24 radical which is a lump of all possible radicals ! ! c7h14-1-24 + oh = c7h13-1-24 + h2o 3.280e+08 1.61 -3.500e+01 c7h14-2-24 + oh = c7h13-1-24 + h2o 3.280e+08 1.61 -3.500e+01 ! ! c7h14-1-24 + ho2 = c7h13-1-24 + h2o2 4.420e+02 3.37 1.372e+04 c7h14-2-24 + ho2 = c7h13-1-24 + h2o2 4.420e+02 3.37 1.372e+04 ! ! c7h14-1-24 + h = c7h13-1-24 + h2 9.100E+06 2.40 4.471E+03 c7h14-2-24 + h = c7h13-1-24 + h2 9.100E+06 2.40 4.471E+03 ! ! c7h14-1-24 + ch3 = c7h13-1-24 + ch4 1.060e+01 3.46 5.481e+03 c7h14-2-24 + ch3 = c7h13-1-24 + ch4 1.060e+01 3.46 5.481e+03 ! ! c7h14-1-24 + o = c7h13-1-24 + oh 3.860e+06 2.45 2.830e+03 c7h14-2-24 + o = c7h13-1-24 + oh 3.860e+06 2.45 2.830e+03 ! ! ! ! ! ! ! 2,5-dimethyl hexane ! ! ! ! ! 2-methylheptane ! ! ! ! ! ! ! ! class 5 ! h atom abstraction from alkenes by oh, h, ch3, and o ! ! ! the following are global reactions used for simplicity. abstractions form a c8h15-1-2 radical which is a lump of all possible radicals ! ! ! c8h16-1-25 + oh = c8h15-1-25 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-2-25 + oh = c8h15-1-25 + h2o 3.740e+08 1.61 -3.500e+01 c8h16-3-25 + oh = c8h15-1-25 + h2o 3.740e+08 1.61 -3.500e+01 ! ! c8h16-1-25 + ho2 = c8h15-1-25 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-2-25 + ho2 = c8h15-1-25 + h2o2 5.060e+02 3.37 1.372e+04 c8h16-3-25 + ho2 = c8h15-1-25 + h2o2 5.060e+02 3.37 1.372e+04 ! ! c8h16-1-25 + h = c8h15-1-25 + h2 1.040E+07 2.40 4.471E+03 c8h16-2-25 + h = c8h15-1-25 + h2 1.040E+07 2.40 4.471E+03 c8h16-3-25 + h = c8h15-1-25 + h2 1.040E+07 2.40 4.471E+03 ! ! c8h16-1-25 + ch3 = c8h15-1-25 + ch4 1.210e+01 3.46 5.481e+03 c8h16-2-25 + ch3 = c8h15-1-25 + ch4 1.210e+01 3.46 5.481e+03 c8h16-3-25 + ch3 = c8h15-1-25 + ch4 1.210e+01 3.46 5.481e+03 ! ! c8h16-1-25 + o = c8h15-1-25 + oh 4.420e+06 2.45 2.830e+03 c8h16-2-25 + o = c8h15-1-25 + oh 4.420e+06 2.45 2.830e+03 c8h16-3-25 + o = c8h15-1-25 + oh 4.420e+06 2.45 2.830e+03 ! ! ! ! ! ! class 6 addition of radical species to alkenes ! ! ! ! ! 2,4-dimethyl pentane ! ! c7h14-1-24 + oh = ch2o + dc6h13 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-1-24 + oh = ch3coch3 + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-2-24 + oh = ch3coch3 + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c7h14-2-24 + oh = ic3h7cho + ic3h7 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / ! c7h14-1-24 + o = ch2o + dc6h12 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-1-24 + o = ch3coch2 + ic4h9 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c7h14-2-24 + o = ch3coch3 + ic4h8 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! 2,5-dimethyl hexane ! ! c8h16-1-25 + oh = ch2o + c7h15-2e 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-1-25 + oh = ch3coch3 + dc5h11 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-2-25 + oh = ch3coch3 + dc5h11 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-2-25 + oh = ic3h7cho + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / c8h16-3-25 + oh = ic3h7cho + ic4h9 1.00e+11 0.00 -4.00e+03 rev / 0.00 0.00 0.00 / ! c8h16-1-25 + o = ch2o + c7h14-4-2 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-1-25 + o = ch3coch2 + dc5h11 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-2-25 + o = ch3coch3 + cc5h10 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-2-25 + o = tc3h6cho + ic4h9 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / c8h16-3-25 + o = ic3h7cho + ic4h8 1.00e+11 0.00 -1.05e+03 rev / 0.00 0.00 0.00 / ! ! ! class 7 reactions of alkenyl radicals ! ! note that the alkenyl radicals are lumped in this model ! ! ! ! 2,4-dimethyl pentane ! ! c7h13-1-24 + ho2 = ac3h5cho + ic3h7 + oh 9.640e+12 0.00 0.00 ! c7h13-1-24 + ch3o2 = ac3h5cho + ic3h7 + ch3o 9.640e+12 0.00 0.00 ! c7h13-1-24 + c2h5o2 = ac3h5cho + ic3h7 + c2h5o 9.640e+12 0.00 0.00 ! ! ! 2,5-dimethyl hexane ! ! c8h15-1-25 + ho2 = ac3h5cho + ic4h9 + oh 9.640e+12 0.00 0.00 ! c8h15-1-25 + ch3o2 = ac3h5cho + ic4h9 + ch3o 9.640e+12 0.00 0.00 ! c8h15-1-25 + c2h5o2 = ac3h5cho + ic4h9 + c2h5o 9.640e+12 0.00 0.00 ! ! ! class 8 alkenyl radical decomposition global reactions ! ! ! ! ! 2,4-dimethyl pentane ! ! ! the complexity of this section is reduced since only one global alkenyl radical ! was formed in class 5 (i.e., c7h13-1-24) ! ! c7h13-1-24 = c3h6 + ic4h7 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c7h13-1-24 = c3h5-t + ic4h8 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c7h13-1-24 = ic5h9 + c2h4 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / ! ! ! 2,5-dimethyl hexane ! ! c8h15-1-25 = ic3h7 + c5h81-3 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-25 = c3h4-p + dc5h11 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-25 = c3h5-t + ac5h10 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-25 = ic4h7 + ic4h8 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / c8h15-1-25 = ic5h9 + c3h6 2.50E+13 0.00 3.000E+04 rev / 1.000E+11 0.00 9.600E+03 / ! ! class 9 decomposition of alkenes ! ! ! ! ! 2,4-dimethyl pentane ! ! c7h14-1-24 = ic4h7 + ic3h7 1.00e+16 0 71000.0 rev / 1.000E+13 0.00 0.000E+00 / c7h14-2-24 = ic6h11 + ch3 1.00e+16 0 71000.0 rev / 1.000E+13 0.00 0.000E+00 / ! ! ! ! 2,5-dimethyl hexane ! ! c8h16-1-25 = ic4h7 + ic4h9 1.00e+16 0 71000.0 rev / 1.000E+13 0.00 0.000E+00 / c8h16-2-25 = ic5h9 + ic3h7 1.00e+16 0 71000.0 rev / 1.000E+13 0.00 0.000E+00 / c8h16-3-25 = c7h13-1-2 + ch3 1.00e+16 0 71000.0 rev / 1.000E+13 0.00 0.000E+00 / ! ! ! ! class 10 retroene reactions ! ! ! c7h14-1-24 = ic4h8 + c3h6 3.98e+12 0. 57629. ! c8h16-1-25 = c3h6 + cc5h10 3.98e+12 0. 57629. ! c8h16-2-25 = ic4h8 + ic4h8 3.98e+12 0 57629 ! c8h16-3-25 = ic4h8 + ic4h8 3.98e+12 0 57629 ! ! class 11 addition of o2 to alkyl ! ! c8h17-25a + o2 = c8h17oo-1-25 4.52E+12 0 0 c8h17-25b + o2 = c8h17oo-2-25 1.41E+13 0 0 c8h17-25c + o2 = c8h17oo-3-25 7.54E+12 0 0 ! ! ! ! class 12 r. + r'oo. = ro. + r'o. ! addition of alkyl radical (r.) with alkylperoxy radical (r'oo.) to form two ro molecules. ! ! ! ! ! c8h17-25a + c8h17oo-1-25 = c8h17o-1-25 + c8h17o-1-25 7.00e+12 0 -1000 c8h17-25a + c8h17oo-2-25 = c8h17o-1-25 + c8h17o-2-25 7.00e+12 0 -1000 c8h17-25a + c8h17oo-3-25 = c8h17o-1-25 + c8h17o-3-25 7.00e+12 0 -1000 ! ! c8h17-25b + c8h17oo-1-25 = c8h17o-2-25 + c8h17o-1-25 7.00e+12 0 -1000 c8h17-25b + c8h17oo-2-25 = c8h17o-2-25 + c8h17o-2-25 7.00e+12 0 -1000 c8h17-25b + c8h17oo-3-25 = c8h17o-2-25 + c8h17o-3-25 7.00e+12 0 -1000 ! ! c8h17-25c + c8h17oo-1-25 = c8h17o-3-25 + c8h17o-1-25 7.00e+12 0 -1000 c8h17-25c + c8h17oo-2-25 = c8h17o-3-25 + c8h17o-2-25 7.00e+12 0 -1000 c8h17-25c + c8h17oo-3-25 = c8h17o-3-25 + c8h17o-3-25 7.00e+12 0 -1000 ! ! ! Class 13 r. + hoo. = ro. + oh. ! addition of alkyl radical (r.) with hydroperoxy radical (hoo.) to form ro and oh. ! ! ! c8h17-25a + ho2 = c8h17o-1-25 + oh 7.00e+12 0 -1000 c8h17-25b + ho2 = c8h17o-2-25 + oh 7.00e+12 0 -1000 c8h17-25c + ho2 = c8h17o-3-25 + oh 7.00e+12 0 -1000 ! ! ! Class 14 ! ! ! ! c8h17-25a + ch3o2 = c8h17o-1-25 + ch3o 7.00e+12 0 -1000 c8h17-25b + ch3o2 = c8h17o-2-25 + ch3o 7.00e+12 0 -1000 c8h17-25c + ch3o2 = c8h17o-3-25 + ch3o 7.00e+12 0 -1000 ! ! ! ! class 15 ro2 isomerization ! roo. = .qooh ! h atom transfers from a carbon to the o radical site ! includes transition state rings of 5, 6, 7, 8 atoms ! a hyphen is not used to indicate ooh position ! radical site denoted by letter ! c8h17oo-1-25 = c8ooh1-25a 3.75e+10 0.00 2.400e+04 !6p c8h17oo-1-25 = c8ooh1-25b 1.00e+11 0.00 2.370e+04 !5t c8h17oo-1-25 = c8ooh1-25c 2.50e+10 0.00 2.045e+04 !6s c8h17oo-1-25 = c8ooh1-25d 3.125e+09 0.00 1.865e+04 !7s c8h17oo-1-25 = c8ooh1-25e 1.95e+08 0.00 1.965e+04 !8t ! ! c8h17oo-2-25 = c8ooh2-25a 6.00e+11 0.00 2.900e+04 !5p x2 c8h17oo-2-25 = c8ooh2-25c 2.00e+11 0.00 2.645e+04 !5s c8h17oo-2-25 = c8ooh2-25d 2.50e+10 0.00 2.045e+04 !6s c8h17oo-2-25 = c8ooh2-25e 1.560e+09 0.00 1.665e+04 !7t c8h17oo-2-25 = c8ooh2-25f 1.17e+09 0.00 2.515e+04 !8p x2 ! ! c8h17oo-3-25 = c8ooh3-25a 7.50e+10 0.00 2.400e+04 !6p x2 c8h17oo-3-25 = c8ooh3-25b 1.00e+11 0.00 2.370e+04 !5t c8h17oo-3-25 = c8ooh3-25d 2.00e+11 0.00 2.645e+04 !5s c8h17oo-3-25 = c8ooh3-25e 1.25e+10 0.00 1.870e+04 !6t c8h17oo-3-25 = c8ooh3-25f 9.38e+09 0.00 2.165e+04 !7p x2 ! ! ! class 16 Ro2=ho2+alkene direct elimination of ho2 and alkene from Ro2 c8h17oo-1-25<=>c8h16-1-25+ho2 8.530E+35 -7.220 4.149E+04 c8h17oo-2-25<=>c8h16-1-25+ho2 2.015E+43 -9.410 4.349E+04 c8h17oo-2-25<=>c8h16-2-25+ho2 10.044E+38 -8.110 4.249E+04 c8h17oo-3-25<=>c8h16-2-25+ho2 8.530E+35 -7.220 4.149E+04 c8h17oo-3-25<=>c8h16-3-25+ho2 10.044E+38 -8.110 4.249E+04 ! ! ! ! class 17 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + o2 ! c8h17oo-1-25 + ho2 = c8h17ooh-1-25 + o2 1.75e+10 0 -3275 c8h17oo-2-25 + ho2 = c8h17ooh-2-25 + o2 1.75e+10 0 -3275 c8h17oo-3-25 + ho2 = c8h17ooh-3-25 + o2 1.75e+10 0 -3275 ! ! ! ! class 18 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + ho2 ! c8h17oo-1-25 + h2o2 = c8h17ooh-1-25 + ho2 2.40e+12 0 1.00e+04 c8h17oo-2-25 + h2o2 = c8h17ooh-2-25 + ho2 2.40e+12 0 1.00e+04 c8h17oo-3-25 + h2o2 = c8h17ooh-3-25 + ho2 2.40e+12 0 1.00e+04 ! ! ! class 19 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + ch3o + o2 ! c8h17oo-1-25 + ch3o2 = c8h17o-1-25 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c8h17oo-2-25 + ch3o2 = c8h17o-2-25 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / c8h17oo-3-25 + ch3o2 = c8h17o-3-25 + ch3o + o2 1.400e+16 -1.61 1.860e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! ! class 20 bimolecular reaction between alkylperoxy and hydroperoxy radicals ! roo. + hoo. = rooh + o2 ! ! ! c8h17oo-1-25 + c8h17oo-1-25 = c8h17o-1-25 + c8h17o-1-25 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-1-25 + c8h17oo-2-25 = c8h17o-1-25 + c8h17o-2-25 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-1-25 + c8h17oo-3-25 = c8h17o-1-25 + c8h17o-3-25 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! ! c8h17oo-2-25 + c8h17oo-2-25 = c8h17o-2-25 + c8h17o-2-25 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / c8h17oo-2-25 + c8h17oo-3-25 = c8h17o-2-25 + c8h17o-3-25 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! c8h17oo-3-25 + c8h17oo-3-25 = c8h17o-3-25 + c8h17o-3-25 + o2 1.40e+16 -1.61 1.86e+03 rev / 0.00 0.00 0.00 / ! ! ! ! ! class 21 ! ! rooh = ro + oh ! ! c8h17ooh-1-25 = c8h17o-1-25 + oh 1.000e+16 0.00 3.900e+04 c8h17ooh-2-25 = c8h17o-2-25 + oh 1.000e+16 0.00 3.900e+04 c8h17ooh-3-25 = c8h17o-3-25 + oh 1.000e+16 0.00 3.900e+04 ! ! ! class 22 decomposition of akylperoxy radical (ro.) ! ! ch2o + c7h15-2e = c8h17o-1-25 1.00e+11 0 11900 ch3coch3 + dc5h11 = c8h17o-2-25 1.00e+11 0 11900 ic3h7cho + ic4h9 = c8h17o-3-25 1.00e+11 0 11900 ! ! ! ! ! ! ! class 23 decomposition of .qooh to form cyclic ether (qo) and oh ! .qooh = qo + oh ! the reactions are ordered by size of the cyclic ether ring because the reaction rates are determined based on the ring size ! ! 3 member rings c8ooh1-25b = c8h16o1-2-25 + oh 18.000E+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh2-25a = c8h16o1-2-25 + oh 18.000E+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh2-25c = c8h16o2-3-25 + oh 18.000E+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh3-25b = c8h16o2-3-25 + oh 18.000E+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / c8ooh3-25d = c8h16o3-4-25 + oh 18.00e+11 0.00 2.20e+04 rev / 0.00 0.00 0.00 / ! ! 4 member rings c8ooh1-25a = c8h16o1-1-25 + oh 3.000E+11 0.000 1.425E+04 rev / 0.00 0.00 0.00 / c8ooh1-25c = c8h16o1-3-25 + oh 3.000E+11 0.000 1.425E+04 rev / 0.00 0.00 0.00 / c8ooh2-25d = c8h16o2-4-25 + oh 3.000E+11 0.000 1.425E+04 rev / 0.00 0.00 0.00 / c8ooh3-25a = c8h16o1-3-25 + oh 3.000E+11 0.000 1.425E+04 rev / 0.00 0.00 0.00 / c8ooh3-25e = c8h16o2-4-25 + oh 3.000E+11 0.000 1.425E+04 rev / 0.00 0.00 0.00 / ! ! 5 member rings c8ooh1-25d = c8h16o1-4-25 + oh 27.375E+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c8ooh2-25e = c8h16o2-5-25 + oh 27.375E+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / c8ooh3-25f = c8h16o1-4-25 + oh 27.375E+09 0.00 7.00e+03 rev / 0.00 0.00 0.00 / ! ! 6 member rings c8ooh1-25e = c8h16o1-5-25 + oh 3.172E+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / c8ooh2-25f = c8h16o1-5-25 + oh 3.172E+09 0.00 1.80e+03 rev / 0.00 0.00 0.00 / ! ! ! class 24 .qooh species with a radical site beta to the hydroperoxy group decompose to an alkene and ho2 ! .qooh = alkene + ho2 ! ! c8h16-1-25 + ho2 = c8ooh1-25b 2.70e+03 2.500 1.05e+04 ! c8h16-1-25 + ho2 = c8ooh2-25a 2.70e+03 2.500 1.05e+04 ! c8h16-2-25 + ho2 = c8ooh2-25c 2.70e+03 2.500 1.05e+04 ! c8h16-2-25 + ho2 = c8ooh3-25b 2.70e+03 2.500 1.05e+04 ! c8h16-3-25 + ho2 = c8ooh3-25d 2.70e+03 2.500 1.05e+04 ! ! !! class 25 .qooh species produced by an ro2 isomerization with an intermediate ring of six atoms decompose via beta scission ! .qooh = alkene + carbonyl + oh ! ! c8ooh1-25a = c7h14-5-2 + ch2o + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh1-25c = c7h14-4-2 + ch2o + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh2-25d = cc5h10 + ch3coch3 + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh3-25e = ic4h8 + ic3h7cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / c8ooh3-25a = c3h6 + ic4h9cho + oh 1.00E+13 0.00 3.0E+04 rev / 0.00 0.00 0.00 / ! ! ! ! ! Class 26 qooh + o2 = o2qooh ! ! addition of second o2 ! ! c8ooh1-25a + o2 = c8ooh1-oo1-25 4.52E+12 0 0 c8ooh1-25b + o2 = c8ooh1-oo2-25 1.41E+13 0 0 c8ooh1-25c + o2 = c8ooh1-oo3-25 7.54E+12 0 0 c8ooh1-25d + o2 = c8ooh1-oo4-25 7.54E+12 0 0 c8ooh1-25e + o2 = c8ooh1-oo5-25 1.41E+13 0 0 c8ooh2-25a + o2 = c8ooh2-oo1-25 4.52E+12 0 0 c8ooh2-25c + o2 = c8ooh2-oo3-25 7.54E+12 0 0 c8ooh2-25d + o2 = c8ooh2-oo4-25 7.54E+12 0 0 c8ooh2-25e + o2 = c8ooh2-oo5-25 1.41E+13 0 0 c8ooh2-25f + o2 = c8ooh2-oo6-25 4.52E+12 0 0 c8ooh3-25a + o2 = c8ooh3-oo1-25 4.52E+12 0 0 c8ooh3-25b + o2 = c8ooh3-oo2-25 1.41E+13 0 0 c8ooh3-25d + o2 = c8ooh3-oo4-25 7.54E+12 0 0 c8ooh3-25e + o2 = c8ooh3-oo5-25 1.41E+13 0 0 c8ooh3-25f + o2 = c8ooh3-oo6-25 4.52E+12 0 0 ! ! ! ! ! class 27 decomposition of peroxyalkylhydroperoxide to form ketohydroperoxide s(ket) plus oh ! .ooqooh = ketohydroperoxide + oh ! (1st number is ketene group; 2nd number is ooh group) ! ! ! ! ! c8ooh1-oo1-25 = c8ket1-1-25 + oh 2.50e+10 0.00 2.100e+04 !6p c8ooh1-oo2-25 = c8ket1-2-25 + oh 2.00e+11 0.00 2.600e+04 !5p c8ooh1-oo3-25 = c8ket1-3-25 + oh 2.50e+10 0.00 2.100e+04 !6p c8ooh1-oo4-25 = c8ket1-4-25 + oh 3.125e+09 0.00 1.895E+04 !7p c8ooh1-oo5-25 = c8ket1-5-25 + oh 3.90e+08 0.00 2.215E+04 !8p ! c8ooh3-oo1-25 = c8ket3-1-25 + oh 1.25e+10 0.00 1.745E+04 !6s c8ooh3-oo2-25 = c8ket3-2-25 + oh 1.00e+11 0.00 2.345E+04 !5s c8ooh3-oo4-25 = c8ket3-4-25 + oh 1.00e+11 0.00 2.345E+04 !5s c8ooh3-oo5-25 = c8ket3-5-25 + oh 1.25e+10 0.00 1.745E+04 !6s c8ooh3-oo6-25 = c8ket3-6-25 + oh 1.56e+09 0.00 1.565e+04 !7s ! ! ! ! ! ! class 28 ketohydroperoxide decomposition ! ! ! ! ! ! ! c8ket1-1-25 = ch2o + c2h3cho + oh + ic4h9 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket1-2-25 = ch3co + hco + oh + dc5h11 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket1-3-25 = ch3chcho + oh + ic4h9cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket1-4-25 = ic3h6cho + oh + ic3h7cho 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket1-5-25 = c4h8cho4-2 + oh + ch3coch3 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / ! c8ket3-1-25 = ch2o + oh + ic4h9coc2h4p 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket3-2-25 = ch3coch3 + oh + ic4h9co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket3-4-25 = ic3h7cho + oh + ic3h7co 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket3-5-25 = ic3h7coch2 + oh + ch3coch3 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / c8ket3-6-25 = ic3h7coc3h6p + oh + ch2o 1.000E+16 0.00 3.900E+04 rev / 0.00 0 0 / ! ! ! class 29 cyclic ether (qo) reactions with oh and ho2 ! qo + oh = h2o + products ! qo + ho2 = h2o2 + products ! c8h16o1-1-25 + oh = c7h14-5-2 + hco + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o1-1-25 + oh = c7h13-1-2 + ch2o + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-2-25 + oh = c7h13-1-2 + ch2o + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-2-25 + oh = ic4h9 + ic3h5cho + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-3-25 + oh = c7h14-5-2 + hco + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-3-25 + oh = ic4h9co + c3h6 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-4-25 + oh = cc5h10 + ch3chcho + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-4-25 + oh = ic3h7coch2 + c3h6 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0.00e+00 / c8h16o1-5-25 + oh = ic4h8 + ic3h6cho + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o1-5-25 + oh = c7h13-1-2 + ch2o + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / ! c8h16o2-3-25 + oh = ic4h9cho + c3h5-t + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o2-3-25 + oh = ic4h9+ ic3h6co + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o2-4-25 + oh = ic3h7cho + ic4h7 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o2-4-25 + oh = ic3h7co + ic4h8 + h2o 2.50e+12 0 0 rev / 0.00e+00 0 0 / c8h16o2-5-25 + oh = ch3coch3 + ic5h9 + h2o 5.00e+12 0 0 !double this reaction due to symmetry rev / 0.00e+00 0 0 / ! ! c8h16o3-4-25 + oh = ic3h7 + ic3h7chco + h2o 5.00e+12 0 0 !double this reaction due to symmetry rev / 0.00e+00 0 0 / ! ! ! class 29 cyclic ether (qo) reactions with oh and ho2 ! qo + oh = h2o + products ! qo + ho2 = h2o2 + products ! ! c8h16o1-1-25 + ho2 = c7h14-5-2 + hco + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o1-1-25 + ho2 = c7h13-1-2 + ch2o + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-2-25 + ho2 = c7h13-1-2 + ch2o + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-2-25 + ho2 = ic4h9 + ic3h5cho + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-3-25 + ho2 = c7h14-5-2 + hco + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-3-25 + ho2 = ic4h9co + c3h6 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-4-25 + ho2 = cc5h10 + ch3chcho + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-4-25 + ho2 = ic3h7coch2 + c3h6 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0.00e+00 / c8h16o1-5-25 + ho2 = ic4h8 + ic3h6cho + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o1-5-25 + ho2 = c7h13-1-2 + ch2o + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / ! c8h16o2-3-25 + ho2 = ic4h9cho + c3h5-t + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o2-3-25 + ho2 = ic4h9+ ic3h6co + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o2-4-25 + ho2 = ic3h7cho + ic4h7 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o2-4-25 + ho2 = ic3h7co + ic4h8 + h2o2 5.00e+12 0 17700 rev / 0.00e+00 0 0 / c8h16o2-5-25 + ho2 = ch3coch3 + ic5h9 + h2o2 1.00e+13 0 17700 !double this reaction due to symmetry rev / 0.00e+00 0 0 / ! ! c8h16o3-4-25 + ho2 = ic3h7 + ic3h7chco + h2o2 1.00e+13 0 17700 !double this reaction due to symmetry rev / 0.00e+00 0 0 / ! ! ! ! class 30 miscellaneous reactions ! ! ! large aldehydes ! simplified consumption mechanisms for aldehydes larger than nc5 ! ! ! ! ! c4h8cho4-2 = c2h4+ch3chcho 1.031e+15 -0.62 2.317e+04 rev / 1.000e+11 0.00 7.800e+03 / ! ! ! ! ! ! ! nc8h17cho + o2 = nc8h17co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / nc8h17cho + oh = nc8h17co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / nc8h17cho+h = nc8h17co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / nc8h17cho+o = nc8h17co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / nc8h17cho+ho2 = nc8h17co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / nc8h17cho+ch3 = nc8h17co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / nc8h17cho+ch3o = nc8h17co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / nc8h17cho+ch3o2 = nc8h17co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / nc8h17co = c8h17-1+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! nc7h15cho + o2 = nc7h15co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / nc7h15cho + oh = nc7h15co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / nc7h15cho+h = nc7h15co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / nc7h15cho+o = nc7h15co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / nc7h15cho+ho2 = nc7h15co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / nc7h15cho+ch3 = nc7h15co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / nc7h15cho+ch3o = nc7h15co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / nc7h15cho+ch3o2 = nc7h15co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / nc7h15co = c7h15-1+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! nc6h13cho + o2 = nc6h13co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / nc6h13cho + oh = nc6h13co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / nc6h13cho+h = nc6h13co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / nc6h13cho+o = nc6h13co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / nc6h13cho+ho2 = nc6h13co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / nc6h13cho+ch3 = nc6h13co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / nc6h13cho+ch3o = nc6h13co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / nc6h13cho+ch3o2 = nc6h13co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / nc6h13co = c6h13-1+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ! ! ! ic8h17cho + o2 = ic8h17co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / ic8h17cho + oh = ic8h17co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / ic8h17cho+h = ic8h17co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / ic8h17cho+o = ic8h17co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / ic8h17cho+ho2 = ic8h17co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / ic8h17cho+ch3 = ic8h17co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / ic8h17cho+ch3o = ic8h17co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / ic8h17cho+ch3o2 = ic8h17co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / ic8h17co = c8h17-2g+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ic7h15cho + o2 = ic7h15co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / ic7h15cho + oh = ic7h15co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / ic7h15cho+h = ic7h15co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / ic7h15cho+o = ic7h15co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / ic7h15cho+ho2 = ic7h15co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / ic7h15cho+ch3 = ic7h15co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / ic7h15cho+ch3o = ic7h15co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / ic7h15cho+ch3o2 = ic7h15co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / ic7h15co = c7h15-2f+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ic6h13cho + o2 = ic6h13co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / ic6h13cho + oh = ic6h13co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / ic6h13cho+h = ic6h13co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / ic6h13cho+o = ic6h13co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / ic6h13cho+ho2 = ic6h13co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / ic6h13cho+ch3 = ic6h13co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / ic6h13cho+ch3o = ic6h13co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / ic6h13cho+ch3o2 = ic6h13co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / ic6h13co = ec6h13+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ! ic5h11cho + o2 = ic5h11co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / ic5h11cho + oh = ic5h11co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / ic5h11cho+h = ic5h11co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / ic5h11cho+o = ic5h11co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / ic5h11cho+ho2 = ic5h11co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / ic5h11cho+ch3 = ic5h11co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / ic5h11cho+ch3o = ic5h11co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / ic5h11cho+ch3o2 = ic5h11co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / ic5h11co = dc5h11+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ! ic4h9cho + o2 = ic4h9co+ho2 2.000e+13 0.50 4.220e+04 rev / 1.000e+07 0.00 4.000e+04 / ic4h9cho + oh = ic4h9co+h2o 2.690e+10 0.76 -3.400e+02 rev / 1.740e+10 0.76 3.120e+04 / ic4h9cho+h = ic4h9co+h2 4.000e+13 0.00 4.200e+03 rev / 1.800e+13 0.00 2.400e+04 / ic4h9cho+o = ic4h9co + oh 5.000e+12 0.00 1.790e+03 rev / 1.000e+12 0.00 1.900e+04 / ic4h9cho+ho2 = ic4h9co+h2o2 2.800e+12 0.00 1.360e+04 rev / 1.000e+12 0.00 1.000e+04 / ic4h9cho+ch3 = ic4h9co+ch4 1.700e+12 0.00 8.440e+03 rev / 1.500e+13 0.00 2.800e+04 / ic4h9cho+ch3o = ic4h9co+ch3oh 1.150e+11 0.00 1.280e+03 rev / 3.000e+11 0.00 1.800e+04 / ic4h9cho+ch3o2 = ic4h9co+ch3o2h 1.000e+12 0.00 9.500e+03 rev / 2.500e+10 0.00 1.000e+04 / ic4h9co = ic4h9+co 1.000e+11 0.00 9.600e+03 rev / 1.000e+11 0.00 0.000 / ! ! ! ! ! ! ! ! ! ! nc3h7coc2h3+h = h2+c3h6+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3 + oh = h2o+c3h6+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3+o = oh+c3h6+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3+ho2 = h2o2+c3h6+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc3h7coc2h3+h = h2+c2h5chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3 + oh = h2o+c2h5chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3+o = oh+c2h5chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7coc2h3+ho2 = h2o2+c2h5chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! nc4h9coc2h3+h = h2+c4h8-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3 + oh = h2o+c4h8-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3+o = oh+c4h8-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3+ho2 = h2o2+c4h8-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc4h9coc2h3+h = h2+nc3h7chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3 + oh = h2o+nc3h7chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3+o = oh+nc3h7chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9coc2h3+ho2 = h2o2+nc3h7chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! nc5h11coc2h3+h = h2+c5h10-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3 + oh = h2o+c5h10-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3+o = oh+c5h10-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3+ho2 = h2o2+c5h10-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc5h11coc2h3+h = h2+nc4h9chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3 + oh = h2o+nc4h9chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3+o = oh+nc4h9chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11coc2h3+ho2 = h2o2+nc4h9chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! nc6h13coc2h3+h = h2+c6h12-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3 + oh = h2o+c6h12-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3+o = oh+c6h12-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3+ho2 = h2o2+c6h12-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc6h13coc2h3+h = h2+nc5h11chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3 + oh = h2o+nc5h11chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3+o = oh+nc5h11chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13coc2h3+ho2 = h2o2+nc5h11chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! ! nc7h15coc2h3+h = h2+c7h14-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3 + oh = h2o+c7h14-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3+o = oh+c7h14-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3+ho2 = h2o2+c7h14-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc7h15coc2h3+h = h2+nc6h13chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3 + oh = h2o+nc6h13chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3+o = oh+nc6h13chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15coc2h3+ho2 = h2o2+nc6h13chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! ! nc8h17coc2h3+h = h2+c8h16-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3 + oh = h2o+c8h16-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3+o = oh+c8h16-1+c2h3co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3+ho2 = h2o2+c8h16-1+c2h3co 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc8h17coc2h3+h = h2+nc7h15chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3 + oh = h2o+nc7h15chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3+o = oh+nc7h15chco+c2h3 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc8h17coc2h3+ho2 = h2o2+nc7h15chco+c2h3 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ! ! nc3h7chco+h = h2+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7chco+o = oh+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7chco + oh = h2o+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7chco+ho2 = h2o2+c3h6+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc3h7chco+h = pc4h9+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7chco+o = c4h8-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc3h7chco + oh = pc4h9+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! nc4h9chco+h = h2+c4h8-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9chco+o = oh+c4h8-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9chco + oh = h2o+c4h8-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9chco+ho2 = h2o2+c4h8-1+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc4h9chco+h = c5h11-1+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9chco+o = c5h10-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc4h9chco + oh = c5h11-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! nc5h11chco+h = h2+c5h10-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11chco+o = oh+c5h10-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11chco + oh = h2o+c5h10-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11chco+ho2 = h2o2+c5h10-1+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc5h11chco+h = c6h13-1+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11chco+o = c6h12-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc5h11chco + oh = c6h13-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! nc6h13chco+h = h2+c6h12-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13chco+o = oh+c6h12-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13chco + oh = h2o+c6h12-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13chco+ho2 = h2o2+c6h12-1+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc6h13chco+h = c7h15-1+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13chco+o = c7h14-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc6h13chco + oh = c7h15-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! nc7h15chco+h = h2+c7h14-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15chco+o = oh+c7h14-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15chco + oh = h2o+c7h14-1+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15chco+ho2 = h2o2+c7h14-1+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / nc7h15chco+h = c8h17-1+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15chco+o = c8h16-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / nc7h15chco + oh = c8h17-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! ! ! ! ic3h7chco+h = h2+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ic3h7chco+o = oh+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ic3h7chco + oh = h2o+c3h6+hcco 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ic3h7chco+ho2 = h2o2+c3h6+hcco 5.000e+12 0.00 15000. rev / 0.00 0.00 0.00 / ic3h7chco+h = pc4h9+co 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ic3h7chco+o = c4h8-1+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ic3h7chco + oh = pc4h9+co2 3.000e+12 0.00 0.000 rev / 0.00 0.00 0.00 / ! ! decomposition of large radicals ! ! ! nc8h17coch2 = c8h17-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / nc7h15coch2 = c7h15-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / nc6h13coch2 = c6h13-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / nc5h11coch2 = c5h11-1+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ! ic8h17coch2 = c8h17-2f+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ic7h15coch2 = c7h15-2e+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ic6h13coch2 = dc6h13+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ic5h11coch2 = cc5h11+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ic4h9coch2 = pc4h9+ch2co 2.000e+13 0.00 31000. rev / 2.000e+11 0.00 7350. / ic3h7coch2 = ic3h7+ch2co 2.880e+15 -0.54 3.994e+04 rev / 8.000e+10 0.00 1.060e+04 / ! nc8h17coc2h4p = nc8h17co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc7h15coc2h4p = nc7h15co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc6h13coc2h4p = nc6h13co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc5h11coc2h4p = nc5h11co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc4h9coc2h4p = nc4h9co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ! ! ic8h17coc2h4p = ic8h17co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic7h15coc2h4p = ic7h15co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic6h13coc2h4p = ic6h13co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic5h11coc2h4p = ic5h11co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic4h9coc2h4p = ic4h9co+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ! ! nc8h17coc3h6p = nc8h17coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc7h15coc3h6p = nc7h15coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc6h13coc3h6p = nc6h13coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc5h11coc3h6p = nc5h11coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc4h9coc3h6p = nc4h9coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / nc3h7coc3h6p = nc3h7coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ! ! ic8h17coc3h6p = ic8h17coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic7h15coc3h6p = ic7h15coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic6h13coc3h6p = ic6h13coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic5h11coc3h6p = ic5h11coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic4h9coc3h6p = ic4h9coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ic3h7coc3h6p = ic3h7coch2+c2h4 5.000e+17 -1.5 26000. rev / 2.500e+11 0.00 7800. / ! c5 submechanism from westbrooks 2methylheptane mech for ac5h11, bc5h11, cc5h11, dc5h11, ac5h10, bc5h10, cc5h10, ic5h11 ac5h11 = c3h6+c2h5 1.028e+18 -1.19 3.144e+04 rev / 1.500e+11 0.00 1.060e+04 / ac5h11 = c4h8-1+ch3 1.094e+16 -0.86 2.980e+04 rev / 1.500e+11 0.00 9.200e+03 / ac5h11 = ac5h10+h 4.550e+16 -0.92 3.637e+04 rev / 1.000e+13 0.00 3.200e+03 / ac5h11 + o2 = ac5h10+ho2 1.500e-19 0.00 2.000e+03 rev / 2.000e-19 0.00 1.750e+04 / ac5h11 = dc5h11 3.000e+11 0.00 2.110e+04 rev / 3.000e+11 0.00 2.110e+04 / bc5h11 = ic4h8+ch3 1.033e+14 -0.32 2.854e+04 rev / 3.300e+11 0.00 7.200e+03 / bc5h11 = ac5h10+h 1.042e+15 -0.39 3.870e+04 rev / 1.000e+13 0.00 1.200e+03 / bc5h11 = bc5h10+h 2.976e+15 -0.63 3.744e+04 rev / 1.000e+13 0.00 2.900e+03 / bc5h11 + o2 = ac5h10+ho2 9.000e-19 0.00 5.020e+03 rev / 2.000e-19 0.00 1.750e+04 / bc5h11 + o2 = bc5h10+ho2 3.000e-19 0.00 3.000e+03 rev / 2.000e-19 0.00 1.750e+04 / cc5h11 = c4h8-2+ch3 1.067e+15 -0.77 2.936e+04 rev / 1.500e+11 0.00 9.200e+03 / cc5h11 = bc5h10+h 8.732e+15 -0.83 3.592e+04 rev / 1.000e+13 0.00 3.200e+03 / cc5h11 = cc5h10+h 1.478e+15 -0.56 4.000e+04 rev / 1.000e+13 0.00 2.900e+03 / cc5h11 + o2 = bc5h10+ho2 1.500e-19 0.00 2.000e+03 rev / 2.000e-19 0.00 1.750e+04 / cc5h11 + o2 = cc5h10+ho2 3.000e-19 0.00 3.000e+03 rev / 2.000e-19 0.00 1.750e+04 / dc5h11 = c2h4+ic3h7 1.138e+15 -0.42 2.701e+04 rev / 3.300e+11 0.00 7.200e+03 / dc5h11 = cc5h10+h 2.199e+16 -0.90 3.748e+04 rev / 1.000e+13 0.00 2.900e+03 / dc5h11 + o2 = cc5h10+ho2 3.000e-19 0.00 3.000e+03 rev / 2.000e-19 0.00 1.750e+04 / ac5h10 + oh = ic5h9+h2o 1.000e+12 0.00 1.230e+03 rev / 5.000e+12 0.00 2.650e+04 / bc5h10 + oh = ic5h9+h2o 1.000e+12 0.00 1.230e+03 rev / 5.000e+12 0.00 2.650e+04 / cc5h10 + oh = ic5h9+h2o 1.000e+12 0.00 1.230e+03 rev / 5.000e+12 0.00 2.650e+04 / ac5h10+h = ic5h9+h2 1.000e+12 0.00 3.800e+03 rev / 1.000e+12 0.00 2.500e+04 / bc5h10+h = ic5h9+h2 1.000e+12 0.00 3.800e+03 rev / 1.000e+12 0.00 2.500e+04 / cc5h10+h = ic5h9+h2 1.000e+12 0.00 3.800e+03 rev / 1.000e+12 0.00 2.500e+04 / ac5h10+ch3 = ic5h9+ch4 5.000e+11 0.00 7.300e+03 rev / 6.000e+11 0.00 2.500e+04 / bc5h10+ch3 = ic5h9+ch4 5.000e+11 0.00 7.300e+03 rev / 6.000e+11 0.00 2.500e+04 / cc5h10+ch3 = ic5h9+ch4 5.000e+11 0.00 7.300e+03 rev / 6.000e+11 0.00 2.500e+04 / ac5h10+o = ic5h9 + oh 3.700e+05 2.56 -1.130e+03 rev / 1.000e+12 0.00 2.500e+04 / bc5h10+o = ic5h9 + oh 3.700e+05 2.56 -1.130e+03 rev / 1.000e+12 0.00 2.500e+04 / ic5h9 = c3h4-a+c2h5 1.983e+20 -1.63 5.924e+04 rev / 2.000e+11 0.00 8.300e+03 / bc5h10 = ch3+c4h72-2 2.500E+16 0.00 7.100E+04 rev/ 1.000e+13 0.00 0.000e+00 / cc5h10 = ch3+c4h72-2 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / !c6 submechanism from westbrook's 2methylheptane mechanism for ec6h13, dc6h13, lc6h13, mc6h13, nc6h13, oc6h13, lc6h12, mc6h12, nc6h12, dc6h12, cc6h12, and ic6h11 ac6h13 = nc3h7+c3h6 1.758e+18 -1.31 3.125e+04 rev/ 1.000e+11 0.00 9.200e+03 / ac6h13 = c5h10-1+ch3 5.291e+14 -0.44 3.052e+04 rev/ 1.000e+11 0.00 9.200e+03 / ac6h13 = ac6h12+h 7.385e+16 -0.93 3.710e+04 rev/ 1.600e+13 0.00 3.200e+03 / bc6h13 = ic4h8+c2h5 1.638e+17 -1.19 3.095e+04 rev/ 1.000e+11 0.00 7.800e+03 / bc6h13 = ac6h12+h 1.362e+15 -0.36 3.960e+04 rev/ 1.600e+13 0.00 1.200e+03 / bc6h13 = bc6h12+h 2.789e+15 -0.53 3.843e+04 rev/ 1.600e+13 0.00 2.900e+03 / cc6h13 = c5h10-2+ch3 1.027e+15 -0.70 3.018e+04 rev/ 1.000e+11 0.00 9.200e+03 / cc6h13 = bc6h12+h 1.021e+16 -0.76 3.674e+04 rev/ 1.600e+13 0.00 3.200e+03 / cc6h13 = cc6h12+h 4.770e+15 -0.73 3.786e+04 rev/ 1.600e+13 0.00 2.900e+03 / dc6h13 = ic3h7+c3h6 4.803e+13 -0.03 2.790e+04 rev/ 1.000e+11 0.00 7.800e+03 / dc6h13 = cc6h12+h 4.770e+15 -0.73 3.786e+04 rev/ 1.600e+13 0.00 2.900e+03 / dc6h13 = dc6h12+h 2.237e+15 -0.55 3.876e+04 rev/ 1.600e+13 0.00 1.200e+03 / ec6h13 = ic4h9+c2h4 1.616e+18 -1.56 3.040e+04 rev/ 1.700e+11 0.00 7.800e+03 / ec6h13 = dc6h12+h 3.314e+16 -0.89 3.795e+04 rev/ 1.600e+13 0.00 2.900e+03 / ac6h13+o2 = ac6h12+ho2 1.500e-19 0.00 2.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / bc6h13+o2 = ac6h12+ho2 9.000e-19 0.00 5.020e+03 rev/ 2.000e-19 0.00 1.750e+04 / bc6h13+o2 = bc6h12+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / cc6h13+o2 = bc6h12+ho2 1.500e-19 0.00 2.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / cc6h13+o2 = cc6h12+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / dc6h13+o2 = cc6h12+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / dc6h13+o2 = dc6h12+ho2 4.500e-19 0.00 5.020e+03 rev/ 2.000e-19 0.00 1.750e+04 / ec6h13+o2 = dc6h12+ho2 3.000e-19 0.00 3.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / ac6h13 = dc6h13 2.000e+11 0.00 1.810e+04 rev/ 6.000e+11 0.00 2.110e+04 / ac6h13 = ec6h13 3.000e+11 0.00 1.410e+04 rev/ 6.000e+11 0.00 1.410e+04 / bc6h13 = ec6h13 3.000e+11 0.00 2.110e+04 rev/ 1.000e+11 0.00 1.610e+04 / ac6h12+oh = ic6h11+h2o 3.000e+13 0.00 1.230e+03 rev/ 9.392e+14 0.08 4.008e+04 / bc6h12+oh = ic6h11+h2o 3.000e+13 0.00 1.230e+03 rev/ 1.923e+15 -0.09 3.722e+04 / cc6h12+oh = ic6h11+h2o 3.000e+13 0.00 1.230e+03 rev/ 8.986e+14 -0.06 3.864e+04 / dc6h12+oh = ic6h11+h2o 3.000e+13 0.00 1.230e+03 rev/ 4.214e+14 0.11 4.124e+04 / ac6h12+h = ic6h11+h2 3.700e+13 0.00 3.900e+03 rev/ 2.675e+14 0.08 2.760e+04 / bc6h12+h = ic6h11+h2 3.700e+13 0.00 3.900e+03 rev/ 5.478e+14 -0.09 2.473e+04 / cc6h12+h = ic6h11+h2 3.700e+13 0.00 3.900e+03 rev/ 2.560e+14 -0.06 2.615e+04 / dc6h12+h = ic6h11+h2 3.700e+13 0.00 3.900e+03 rev/ 1.200e+14 0.11 2.875e+04 / ac6h12+ch3 = ic6h11+ch4 1.000e+12 0.00 7.300e+03 rev/ 1.889e+14 0.08 3.148e+04 / bc6h12+ch3 = ic6h11+ch4 1.000e+12 0.00 7.300e+03 rev/ 3.868e+14 -0.09 2.861e+04 / cc6h12+ch3 = ic6h11+ch4 1.000e+12 0.00 7.300e+03 rev/ 1.807e+14 -0.06 3.003e+04 / dc6h12+ch3 = ic6h11+ch4 1.000e+12 0.00 7.300e+03 rev/ 8.476e+13 0.11 3.263e+04 / ac6h12+o = ic6h11+oh 2.204e+11 -0.08 8.295e+03 rev/ 7.000e+11 0.00 2.990e+04 / bc6h12+o = ic6h11+oh 1.076e+11 0.09 1.116e+04 rev/ 7.000e+11 0.00 2.990e+04 / cc6h12+o = ic6h11+oh 2.304e+11 0.06 9.745e+03 rev/ 7.000e+11 0.00 2.990e+04 / dc6h12+o = ic6h11+oh 4.912e+11 -0.11 7.145e+03 rev/ 7.000e+11 0.00 2.990e+04 / ic6h11 = c3h6+c3h5-a 2.500e+13 0.00 4.500e+04 rev/ 0.000e+00 0.00 0.000e+00 / ac6h12+oh = c5h11-2+ch2o 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / bc6h12+oh = ch3coch3+nc3h7 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / bc6h12+oh = c2h5cho+ic3h7 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / cc6h12+oh = ic4h9+ch3cho 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / dc6h12+oh = dc5h11+ch2o 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / ac6h12+o = c5h11-2+hco 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / cc6h12+o = ic4h9+ch3co 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / dc6h12+o = dc5h11+hco 1.000e+11 0.00 -1.050e+03 rev/ 0.000e+00 0.00 0.000e+00 / ac6h12 = ic4h7+c2h5 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / bc6h12 = ch3+ic5h9 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / cc6h12 = ch3+c5h91-5 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / !dc6h12 = ic3h7+c3h5-a 1.000e+16 0.00 7.100e+04 !rev/ 1.000e+13 0.00 0.000e+00 / ! ! ! lc6h13 = c2h4+sc4h9 7.455e+14 -0.46 2.802e+04 rev/ 1.700e+11 0.00 7.800e+03 / lc6h13 = lc6h12+h 7.016e+16 -0.90 4.451e+04 rev/ 1.600e+13 0.00 9.200e+03 / mc6h13 = c4h8-2+c2h5 3.946e+18 -1.66 3.100e+04 rev/ 8.500e+10 0.00 9.200e+03 / mc6h13 = c5h10-2+ch3 8.730e+14 -0.70 3.018e+04 rev/ 8.500e+10 0.00 9.200e+03 / mc6h13 = lc6h12+h 4.737e+15 -0.56 3.902e+04 rev/ 1.600e+13 0.00 1.200e+03 / mc6h13 = mc6h12+h 1.021e+16 -0.76 3.674e+04 rev/ 1.600e+13 0.00 3.200e+03 / nc6h13 = mc6h12+h 2.789e+15 -0.53 3.843e+04 rev/ 1.600e+13 0.00 2.900e+03 / nc6h13 = ac5h10+ch3 3.072e+13 -0.22 3.013e+04 rev/ 8.500e+10 0.00 7.800e+03 / nc6h13 = nc6h12+h 4.839e+14 -0.29 4.169e+04 rev/ 1.600e+13 0.00 3.200e+03 / oc6h13 = c4h8-1+c2h5 4.028e-19 -1.76 3.144e+04 rev/ 8.500e+10 0.00 9.200e+03 / oc6h13 = nc6h12+h 2.624e+16 -0.86 3.719e+04 rev/ 1.600e+13 0.00 3.200e+03 / lc6h13+o2 = lc6h12+ho2 2.000e-18 0.00 5.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / mc6h13+o2 = lc6h12+ho2 2.000e-18 0.00 5.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / mc6h13+o2 = mc6h12+ho2 2.000e-18 0.00 5.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / nc6h13+o2 = mc6h12+ho2 2.000e-18 0.00 5.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / nc6h13+o2 = nc6h12+ho2 2.000e-18 0.00 5.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / oc6h13+o2 = nc6h12+ho2 2.000e-18 0.00 5.000e+03 rev/ 2.000e-19 0.00 1.750e+04 / lc6h13 = oc6h13 3.000e+11 0.00 2.110e+04 rev/ 6.000e+11 0.00 2.110e+04 / lc6h13 = mc6h13 2.000e+11 0.00 1.810e+04 rev/ 3.000e+11 0.00 2.110e+04 / lc6h12+oh = c6h11-3+h2o 3.000e+13 0.00 1.230e+03 rev/ 7.641e+14 -0.04 3.860e+04 / mc6h12+oh = c6h11-3+h2o 3.000e+13 0.00 1.230e+03 rev/ 1.647e+15 -0.24 3.432e+04 / nc6h12+oh = c6h11-3+h2o 3.000e+13 0.00 1.230e+03 rev/ 2.858e+14 0.00 3.728e+04 / lc6h12+h = c6h11-3+h2 3.700e+13 0.00 4.000e+03 rev/ 2.177e+14 -0.04 2.622e+04 / mc6h12+h = c6h11-3+h2 3.700e+13 0.00 4.000e+03 rev/ 4.691e+14 -0.24 2.194e+04 / nc6h12+h = c6h11-3+h2 3.700e+13 0.00 4.000e+03 rev/ 8.140e+13 0.00 2.490e+04 / lc6h12+ch3 = c6h11-3+ch4 1.000e+12 0.00 7.300e+03 rev/ 1.537e+14 -0.04 3.000e+04 / mc6h12+ch3 = c6h11-3+ch4 1.000e+12 0.00 7.300e+03 rev/ 3.312e+14 -0.24 2.572e+04 / nc6h12+ch3 = c6h11-3+ch4 1.000e+12 0.00 7.300e+03 rev/ 5.747e+13 0.00 2.868e+04 / lc6h12+o = c6h11-3+oh 2.709e+11 0.04 9.775e+03 rev/ 7.000e+11 0.00 2.990e+04 / mc6h12+o = c6h11-3+oh 1.257e+11 0.24 1.406e+04 rev/ 7.000e+11 0.00 2.990e+04 / nc6h12+o = c6h11-3+oh 7.244e+11 0.00 1.110e+04 rev/ 7.000e+11 0.00 2.990e+04 / lc6h12+oh = ac5h11+ch2o 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / mc6h12+oh = sc4h9+ch3cho 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / nc6h12+oh = c5h11-3+ch2o 1.000e+11 0.00 -4.000e+03 rev/ 0.000e+00 0.00 0.000e+00 / lc6h12+o = ac5h11+hco 1.000e+11 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / mc6h12+o = sc4h9+ch3co 1.000e+11 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / nc6h12+o = c5h11-3+hco 1.000e+11 0.00 0.000e+00 rev/ 0.000e+00 0.00 0.000e+00 / lc6h12 = c2h5+c4h71-1 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / mc6h12 = ch3+ic5h9 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / nc6h12 = ch3+ic5h9 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / c6h11-3 = c4h8-1+c2h3 2.500e+13 0.00 4.500e+04 rev/ 0.000e+00 0.00 0.000e+00 / ! ! !ch3chcho chemistry ch3chcho+ho2 = c2h5cho + o2 7.350e+12 0.00 1.310e+03 rev / 8.071e+13 -0.08 4.507e+04 / ch3chcho+ho2 = ch3chocho + oh 9.640e+12 0.00 0.000e+00 rev / 1.552e+16 -0.96 2.174e+04 / ch3chocho = ch3cho+hco 3.980e+13 0.00 9.700e+03 rev / 4.335e+05 1.72 8.282e+03 / ch3chcho = c2h3cho+h 3.515e+15 -0.51 4.106e+04 rev / 6.500e+12 0.00 2.900e+03 / ch3chcho = ch3chco+h 1.135e+16 -0.66 4.031e+04 rev / 5.000e+12 0.00 1.200e+03 / ch3chcho+h2 = c2h5cho+h 2.160e+05 2.38 1.899e+04 rev / 4.309e+04 2.63 5.265e+03 / c2h5cho+ho2 = ch3chcho+h2o2 8.000e+10 0.00 1.192e+04 rev / 1.031e+13 -0.57 9.337e+03 / ch3chcho + o2 = ch3chco+ho2 1.810e+11 0.00 1.840e+03 rev / 2.731e+10 -0.01 1.269e+04 / ch3chcho + o2 = c2h3cho+ho2 2.725e+11 0.00 7.240e+03 rev / 1.726e+11 -0.16 1.904e+04 / ch3chcho + o2 = ch3cho+co + oh 3.620e+10 0.00 0.000e+00 rev / 0.000e+00 0.00 0.000e+00 / ! ! ic3h7coc2h3 + oh = ic3h6coc2h3+h2o 1.530e+08 1.53 8.775e+03 rev / 3.039e+07 1.53 2.821e+04 / ic3h7coc2h3 + oh = tc3h6coc2h3+h2o 1.684e+12 0.00 -7.810e+02 rev / 1.073e+10 0.49 2.321e+04 / ic3h7coc2h3 + oh = ch3cho+ic3h7co 1.530e+08 1.53 8.775e+03 rev / 1.013e+03 2.76 2.841e+04 / ic3h7coc2h3+ho2 = ic3h6coc2h3+h2o2 2.740e+04 2.55 1.550e+04 rev / 3.231e+04 2.22 3.467e+03 / ic3h7coc2h3+ho2 = tc3h6coc2h3+h2o2 8.000e+10 0.00 1.192e+04 rev / 3.027e+09 0.16 4.451e+03 / ic3h7coc2h3+ho2 = ch2cho+ic3h7co + oh 6.030e+09 0.00 7.949e+03 rev / 1.000e+00 0.00 0.000e+00 / ic3h7coc2h3+ch3o2 = ic3h6coc2h3+ch3o2h 2.000e+04 2.55 1.550e+04 rev / 9.691e+04 2.04 2.747e+03 / ic3h7coc2h3+ch3o2 = tc3h6coc2h3+ch3o2h 3.610e+03 2.55 8.032e+03 rev / 5.612e+02 2.53 -1.568e+02 / ic3h7coc2h3+ch3o2 = ch2cho+ic3h7co+ch3o 3.970e+11 0.00 1.705e+04 rev / 1.000e+00 0.00 0.000e+00 / ic3h6coc2h3 = c3h6+c2h3co 1.119e+17 -1.24 2.060e+04 rev / 8.000e+10 0.00 1.060e+04 / tc3h6coc2h3 = ic3h6co+c2h3 1.460e+13 -0.06 4.725e+04 rev / 8.000e+10 0.00 1.160e+04 / ! ! !!!! class 23 Additional reactions for ooh group on tertiary site !!! ! removed, in agreement in LLNL iso-octane mech !c8ooh2-oo1-25 = c3ket21 + oh + cc5h10 3.125e+09 0.00 1.865e+04 !7s !rev/ 0.000E+00 0.000 0.000E+00 / !c8ooh2-oo3-25 = ic4h8 + oh + ic4ketit 1.25e+10 0.00 1.870e+04 !6t !rev/ 0.000E+00 0.000 0.000E+00 / !c8ooh2-oo4-25 = c3h6 + oh + ic5ketdb 7.50e+10 0.00 2.400e+04 !6p !rev/ 0.000E+00 0.000 0.000E+00 / !c8ooh2-oo5-25 = ic5h9 + ho2 + oh + ch3coch3 1.560e+09 0.00 1.665e+04 !7t !rev/ 0.000E+00 0.000 0.000E+00 / ! ! ic5ketdb=ch3coch3+ch2cho+oh 1.000E+16 0.000 3.900E+04 rev/ 0.000E+00 0.000 0.000E+00 / ! end