!A comprehensive experimental and modeling study of iso-pentanol combustion ! !Submitted to Combustion and Flame, May 2013 ! !S. Mani Sarathy1*, Sungwoo Park1, Bryan Weber2, Weijing Wang3, Peter Veloo4, !Alexander C. Davis1, Casimir Togbe5, Charles K. Westbrook6, Okjoo Park7, !Guillaume Dayma5, Zhaoyu Luo2, Matthew A. Oehlschlaeger3, Fokion Egolfopoulos7, !Tianfeng Lu2, William J. Pitz6, Chih-Jen Sung2, Philippe Dagaut5 ! !1 Clean Combustion Research Center, King Abdullah University of Science and Technology, Thuwal, Kingdom of Saudi Arabia !2 Department of Mechanical Engineering, University of Connecticut, Storrs, CN, United States !3 Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY, USA !4 Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ, USA !5 CNRS-INSIS, 1C, Ave de la Recherche Scientifique, Orleans Cedex 2, France !6 Lawrence Livermore National Laboratory, Livermore, CA, USA !7 Department of Aerospace and Mechanical Engineering, University of Southern California, Los Angeles, CA 90089, USA ! !*Corresponding Author: !S. Mani Sarathy !mani.sarathy@kaust.edu.sa !Clean Combustion Research Center, King Abdullah University of Science and Technology !Thuwal 23955-6900 !Kingdom of Saudi Arabia ! ! High Temperature Mechanism ! elements c h n o ar he !to modify end species 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 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 c3ket21 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 ! ! nc4h9oh c4h8oh-1 c4h8oh-2 c4h8oh-3 c4h8oh-4 c4h6oh1-32 c4h7oh1-1 c4h6oh1-13 c4h5oh-13 c4h7oh2-1 c4h7oh1-4 ic3h6oh c3h6oh-1 c4h7oh2-2 c4h7oh1-2 c4h7oh1-3 ch3chchoh c3h6oh-2 ic3h6choh ic3h5ch2oh ! hoch2cho hoch2co hoc2h4cho hoc2h4co ! c3h6oh-3 ! cc5h10 ic5h9 dc5h11 c5h81-3 ! iso-pentanol (3-methyl-1-butanol) ! ic5h11oh ! ! iso-pentanal and its radical derivative ic4h9cho ic4h9co ic4h8cho-1 ic4h8cho-2 ic4h8cho-3 ac3h5cho ac3h5co c2h3chcho ! ! alkyl radicals of iso-pentanol ! ic5h10oh-1 ic5h10oh-2 ic5h10oh-3 ic5h10oh-4 ic5h11o ! ! iso-pentenols ! ic5h9oh1-1 ic5h9oh1-2 ic5h9oh1-3 ic5h8oh32 ! ! end reactions !!!start c4_54.8_releasereactions ! search "mani" for reactions removed from base chemistry h+o2<=>o+oh 9.65e+14 -0.262 1.62e+04 o+h2<=>h+oh 5.080e+04 2.670 6.292e+03 oh+h2<=>h+h2o 2.247e8 1.520 3.450e+03 o+h2o<=>oh+oh 3.445e+06 2.020 1.340e+04 h2+m<=>h+h+m 4.577e+19 -1.400 1.044e+05 h2/ 2.5/ h2o/ 12/ co/ 1.9/ co2/ 3.8/ he/ .83/ ch4/ 2/ c2h6/ 3/ o+o+m<=>o2+m 6.165e+15 -0.500 0.000e+00 h2/ 2.5/ h2o/ 12/ ar/ .83/ co/ 1.9/ co2/ 3.8/ he/ .83/ ch4/ 2/ c2h6/ 3/ o+h+m<=>oh+m 4.714e+18 -1.000 0.000e+00 h2/ 2.5/ h2o/ 12/ ar/ .75/ co/ 1.5/ co2/ 2/ he/ .75/ ch4/ 2/ c2h6/ 3/ h+oh+m<=>h2o+m 2.5e+22 -2.000 0.000e+00 h2/ 2.5/ h2o/ 12/ ar/ 0.38/ he/ 0.38/ co/ 1.9/ co2/ 3.8/ ch4/ 2/ c2h6/ 3/ h+o2(+m)<=>ho2(+m) 4.650e+12 0.440 0.000e+00 low/ 1.737e+19 -1.23 0.000e+00/ troe/ 0.67 1e-30 1e30 1e30/ h2/ 1.3/ co/ 1.9/ co2/ 3.8/ he/ 0.0/ h2o/ 10.0/ ar/ 0.00/ ch4/ 2/ c2h6/ 3/ h+o2(+ar)<=>ho2(+ar) 4.650e+12 0.440 0.000e+00 low/ 6.810e+18 -1.200 0.0/ troe/ 0.70 1.0e-30 1.0e+30 1.0e+30/ h+o2(+he)<=>ho2(+he) 4.650e+12 0.440 0.000e+00 low/ 6.128e+18 -1.20 0.000e+00/ troe/ 0.59 1e-30 1e30 1e30/ ho2+h<=>oh+oh 7.079e+13 0.00 2.950e+02 h2+o2<=>h+ho2 5.176e+05 2.433 53502.0 ho2+o<=>oh+o2 3.250e+13 0.000 0.000e+00 ho2+oh<=>h2o+o2 2.890e+13 0.000 -4.970e+02 ho2+ho2<=>h2o2+o2 1.030e+14 0.000 1.104e+04 dup ho2+ho2<=>h2o2+o2 1.940e+11 0.000 -1.409e+03 dup h2o2(+m)<=>oh+oh(+m) 2.00e+12 0.90 4.8749+04 low/ 3.658e+24 -2.30 4.8749+04/ troe/ 0.43 1e-30 1e+30/ ar/ 0.68/ o2/ 0.68/ h2/ 2.5/ co/ 1.9/ co2/ 3.8/ h2o/ 0.0/ he/ 0.0/ h2o2/ 5.2/ ch4/ 2/ c2h6/ 3/ h2o2(+he)<=>oh+oh(+he) 2.00e+12 0.90 4.8749+04 low/ 1.609e+24 -2.30 4.8749+04/ troe/ 0.44 1e-30 1e+30/ h2o2(+h2o)<=>oh+oh(+h2o) 2.00e+12 0.90 4.8749+04 low/ 1.865e+25 -2.30 4.8749+04/ troe/ 0.51 1e-30 1e+30/ h2o2+h<=>h2o+oh 2.410e+13 0.000 3.970e+03 h2o2+h<=>h2+ho2 2.150e+10 1.000 6.000e+03 h2o2+o<=>oh+ho2 9.550e+06 2.000 3.970e+03 h2o2+oh<=>h2o+ho2 1.74e+12 0.000 3.18e+02 dup h2o2+oh<=>h2o+ho2 7.59e+13 0.000 7.269e+03 dup co+o+m<=>co2+m 3.00e+14 0 3000 h2/ 2.5/ h2o/ 6/ co/ 1.9/ co2/ 3.8/ he/ .5/ ch4/ 2/ c2h6/ 3/ co+o2<=>co2+o 1.050e+12 0.000 4.254e+04 co+oh<=>co2+h 6.341e+04 2.053 -355.67 duplicate co+oh<=>co2+h 5.757e+12 -0.664 331.83 duplicate co+ho2<=>co2+oh 1.570e+05 2.180 1.794e+04 hco+m<=>h+co+m 4.750e+11 0.660 1.487e+04 h2/ 2/ h2o/ 12/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ hco+o2<=>co+ho2 7.580e+12 0.000 4.100e+02 hco+h<=>co+h2 7.340e+13 0.000 0.000e+00 hco+o<=>co+oh 3.020e+13 0.000 0.000e+00 hco+o<=>co2+h 3.000e+13 0.000 0.000e+00 hco+oh<=>co+h2o 1.020e+14 0.000 0.000e+00 hco+ho2=>co2+h+oh 3.000e+13 0.000 0.000e+00 hco+hco=>h2+co+co 3.000e+12 0.000 0.000e+00 hco+ch3<=>ch4+co 2.650e+13 0.000 0.000e+00 ch2o+o2<=>hco+ho2 8.070e+15 0.000 5.342e+04 hco+o2<=>o2cho 1.200e+11 0.000 -1.100e+03 ch2o+o2cho<=>hco+ho2cho 1.990e+12 0.000 1.166e+04 ocho+oh<=>ho2cho 2.0e13 0.0 0.0 h+co2<=>ocho 7.500e+13 0.000 2.900e+04 hco+hco<=>ch2o+co 1.800e+13 0.000 0.000e+00 h+o+m<=>m+oh* 1.50e+13 0.0 5.975e3 h2/ 1/ h2o/ 6.5/ o2/ 0.4/ n2/ 0.4/ ar/ 0.35/ oh*+h2o<=>oh+h2o 5.930e+12 0.5 -8.60e2 oh*+h2<=>oh+h2 2.950e+12 0.5 -4.44e2 oh*+n2<=>oh+n2 1.080e+11 0.5 -1.242e3 oh*+oh<=>oh+oh 6.010e+12 0.5 -7.64e2 oh*+h<=>oh+h 1.310e+12 0.5 -1.67e2 oh*+ar<=>oh+ar 1.690e+12 0.0 4.135e3 oh*<=>oh+hv 1.450e+06 0.0 0.0 oh*+o2<=>oh+o2 2.100e+12 0.5 -4.78e2 oh*+co2<=>oh+co2 2.750e+12 0.5 -9.68e2 oh*+co<=>oh+co 3.230e+12 0.5 -7.87e2 oh*+ch4<=>oh+ch4 3.360e+12 0.5 -6.35e2 ch+o2<=>co+oh* 4.040e+13 0.0 0.0 c2h+o<=>co+ch* 6.200e+12 0.0 0.0 c+h+m<=>ch*+m 6.000e+14 0.0 6.94e3 c2h+o2<=>co2+ch* 2.170e+10 0.0 0.0 ch*+ar<=>ch+ar 4.000e+11 0.5 0.0 ch*+h2o<=>ch+h2o 5.300e+13 0.0 0.0 ch*+co<=>ch+co 2.440e+12 0.5 0.0 ch*+co2<=>ch+co2 2.410e-01 4.3 -1.694e3 ch*+o2<=>ch+o2 2.480e+06 2.14 -1.72e3 ch*+h2<=>ch+h2 1.470e+14 0.0 1.361e3 ch*+ch4<=>ch+ch4 1.730e+13 0.0 1.67e2 ch*<=>ch+hv 1.860e+06 0.0 0.0 ch*+n2<=>ch+n2 303.0 3.4 -381 hco+h(+m)<=>ch2o(+m) 1.090e+12 0.480 -2.600e+02 low/ 1.3500e+24 -2.5700e+00 1.4250e+03/ troe/ 7.8240e-01 2.7100e+02 2.7550e+03 6.5700e+03/ h2/ 2/ h2o/ 6/ ar/ .7/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ he/ .7/ co+h2(+m)<=>ch2o(+m) 4.300e+07 1.500 7.960e+04 low/ 5.0700e+27 -3.4200e+00 8.4348e+04/ troe/ 9.3200e-01 1.9700e+02 1.5400e+03 1.0300e+04/ h2/ 2/ h2o/ 6/ ar/ .7/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ he/ .7/ ch2o+oh<=>hco+h2o 7.820e+07 1.630 -1.055e+03 ch2o+h<=>hco+h2 5.740e+07 1.900 2.740e+03 ch2o+o<=>hco+oh 6.260e+09 1.150 2.260e+03 ch2o+ch3<=>hco+ch4 3.830e+01 3.360 4.312e+03 ch2o+ho2<=>hco+h2o2 1.8800e+04 2.700 1.152e+04 ch2o+oh<=>hoch2o 4.500e+15 -1.100 0.000e+00 hoch2o<=>hocho+h 1.000e+14 0.000 1.490e+04 hocho<=>co+h2o 2.450e+12 0.000 6.047e+04 hocho<=>co2+h2 2.950e+09 0.000 4.852e+04 ocho+ho2<=>hocho+o2 3.500e+10 0.000 -3.275e+03 hocho+oh=>h2o+co2+h 2.620e+06 2.060 9.160e+02 hocho+oh=>h2o+co+oh 1.850e+07 1.510 -9.620e+02 hocho+h=>h2+co2+h 4.240e+06 2.100 4.868e+03 hocho+h=>h2+co+oh 6.030e+13 -0.350 2.988e+03 hocho+ch3=>ch4+co+oh 3.900e-07 5.800 2.200e+03 ocho+h2o2<=>hocho+ho2 2.400e+12 0.000 1.000e+04 hocho+ho2=>h2o2+co+oh 1.000e+12 0.000 1.192e+04 hocho+o=>co+oh+oh 1.770e+18 -1.900 2.975e+03 ch2o+ocho<=>hocho+hco 5.600e+12 0.000 1.360e+04 ch3o(+m)<=>ch2o+h(+m) 6.800e+13 0.000 2.617e+04 low/ 1.8670e+25 -3.0000e+00 2.4307e+04/ troe/ 9.0000e-01 2.5000e+03 1.3000e+03 1.0000e+99/ h2/ 2/ h2o/ 6/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ ch3o+o2<=>ch2o+ho2 4.380e-19 9.500 -5.501e+03 ch2o+ch3o<=>ch3oh+hco 6.620e+11 0.000 2.294e+03 ch3+ch3oh<=>ch4+ch3o 1.440e+01 3.100 6.935e+03 ch3o+ch3<=>ch2o+ch4 1.200e+13 0.000 0.000e+00 ch3o+h<=>ch2o+h2 2.000e+13 0.000 0.000e+00 ch3o+ho2<=>ch2o+h2o2 3.010e+11 0.000 0.000e+00 ch2o+h(+m)<=>ch2oh(+m) 5.400e+11 0.454 3.600e+03 low/ 1.2700e+32 -4.8200e+00 6.5300e+03/ troe/ 7.1870e-01 1.0300e+02 1.2910e+03 4.1600e+03/ h2/ 2/ h2o/ 6/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ ch2oh+o2<=>ch2o+ho2 1.510e+15 -1.000 0.000e+00 dup ch2oh+o2<=>ch2o+ho2 2.410e+14 0.000 5.017e+03 dup ch2oh+h<=>ch2o+h2 6.000e+12 0.000 0.000e+00 ch2oh+ho2<=>ch2o+h2o2 1.200e+13 0.000 0.000e+00 ch2oh+hco<=>ch2o+ch2o 1.800e+14 0.000 0.000e+00 ch2oh+ch3o<=>ch2o+ch3oh 2.400e+13 0.000 0.000e+00 ch3oh+hco<=>ch2oh+ch2o 9.630e+03 2.900 1.311e+04 oh+ch2oh<=>h2o+ch2o 2.400e+13 0.000 0.000e+00 o+ch2oh<=>oh+ch2o 4.200e+13 0.000 0.000e+00 ch2oh+ch2oh<=>ch2o+ch3oh 3.000e+12 0.000 0.000e+00 ch2oh+ho2<=>hoch2o+oh 1.000e+13 0.000 0.000e+00 ch2o+ho2<=>och2o2h 1.500e+11 0.000 1.190e+04 och2o2h<=>hoch2o2 3.000e+11 0.000 8.600e+03 hoch2o2+ho2<=>hoch2o2h+o2 3.500e+10 0.000 -3.275e+03 hoch2o+oh<=>hoch2o2h 1.000e+13 0.000 0.000e+00 ch3oh(+m)<=>ch3+oh(+m) 2.084e+18 -0.615 92540.551 low/ 1.50e+43 -6.99452 97992.19126/ troe/ -4.748e-01 35578.477 1116.46 9.023e+03/ ch3oh(+m)<=>ch2(s)+h2o(+m) 3.121e+18 -1.017 91711.972 low/ 1.43e+47 -8.22668 99417.09727/ troe/ 2.545e+00 3289.782 47315.58 4.711e+04/ ch3oh(+m)<=>ch2oh+h(+m) 7.896e-03 5.038 84467.37 low/ 3.39e+42 -7.24388 105230.2692/ troe/ -7.391e+01 37053.795 41496.40 5.220e+03/ ch3oh+h<=>ch2oh+h2 3.07e+05 2.55 5.44e+03 ch3oh+h<=>ch3o+h2 1.99e+05 2.56 1.03e+04 ch3oh+o<=>ch2oh+oh 3.880e+05 2.500 3.080e+03 ch3oh+oh<=>ch2oh+h2o 3.08e+04 2.65 -806.7 ch3oh+oh<=>ch3o+h2o 1.50e+02 3.03 -763 ch3oh+o2<=>ch2oh+ho2 2.050e+13 0.000 4.490e+04 ch3oh+ho2<=>ch2oh+h2o2 1.080e+04 2.550 1.053e+04 ch3oh+ch3<=>ch2oh+ch4 3.190e+01 3.170 7.172e+03 ch3o+ch3oh<=>ch2oh+ch3oh 3.000e+11 0.000 4.074e+03 ch3o+ch3o<=>ch3oh+ch2o 6.030e+13 0.000 0.000e+00 ch3+h(+m)<=>ch4(+m) 6.350e+15 -0.630 383.00 low/ 2.477e+33 -4.760 2440.00/ troe/ 0.7830 74.00 2941.00 6964.0/ h2/ 2/ h2o/ 6/ ar/ .7/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ he/ .7/ ch4+h<=>ch3+h2 6.140e+05 2.500 9.587e+03 ch4+oh<=>ch3+h2o 5.830e+04 2.600 2.190e+03 ch4+o<=>ch3+oh 1.020e+09 1.500 8.600e+03 ch4+ho2<=>ch3+h2o2 1.130e+01 3.740 2.101e+04 ch4+ch2<=>ch3+ch3 2.460e+06 2.000 8.270e+03 ch3+oh(+m)<=>ch2(s)+h2o(+m) 1.128e+15 -0.63327 -493.15597 high/ 2.394e-03 4.096 -1241.875/ troe/ 2.122e+00 837.667 2326.05 4.432e+03/ ch3+oh(+m)<=>ch2o+h2(+m) 282320.078 1.46878 -3270.56495 high/ 5.88e-14 6.721 -3022.227/ troe/ 1.671e+00 434.782 2934.21 3.919e+03/ ch3+oh(+m)<=>ch2oh+h(+m) 6.58e+09 0.996 3191.122 high/ 5.86e-06 5.009 1886.4578/ troe/ 1.349e+00 612.150 2296.27 4.411e+03/ ch3+oh(+m)<=>h+ch3o(+m) 1.20e+09 1.014 11947.831 high/ 1.78e-46 18.59 -27.41384/ troe/ 2.897e+00 1873.279 3323.16 3.675e+03/ ch3+oh(+m)<=>hcoh+h2(+m) 6.39e+08 0.82548 -3097.9636 high/ 3.00e-11 6.225 -3125.551/ troe/ 2.386e+00 806.021 2201.70 4.440e+03/ hcoh+oh<=>hco+h2o 2.00e+13 0.0 0.0 hcoh+h<=>ch2o+h 2.00e+14 0.0 0.0 hcoh+o<=>co2+h+h 5.00e+13 0.0 0.0 hcoh+o<=>co+oh+h 3.00e+13 0.0 0.0 hcoh+o2<=>co2+h+oh 5.00e+12 0.0 0.0 hcoh+o2<=>co2+h2o 3.00e+13 0.0 0.0 ch3+ho2<=>ch3o+oh 1.000e+12 0.269 -6.875e+02 ch3+ho2<=>ch4+o2 1.160e+05 2.230 -3.022e+03 ch3+o<=>ch2o+h 5.540e+13 0.050 -1.360e+02 ch3+o2<=>ch3o+o 7.546e+12 0.000 2.832e+04 ch3+o2<=>ch2o+oh 2.641e+00 3.283 8.105e+03 ch3+o2(+m)<=>ch3o2(+m) 7.812e+09 0.900 0.000e+00 low/ 6.8500e+24 -3.0000e+00 0.0000e+00/ troe/ 6.0000e-01 1.0000e+03 7.0000e+01 1.7000e+03/ ch3o2+ch2o<=>ch3o2h+hco 1.990e+12 0.000 1.166e+04 ch4+ch3o2<=>ch3+ch3o2h 6.400e-01 3.770 1.781e+04 ch3oh+ch3o2<=>ch2oh+ch3o2h 1.810e+12 0.000 1.371e+04 ch3o2+ch3<=>ch3o+ch3o 2.540e+12 0.000 -1.411e+03 ch3o2+ho2<=>ch3o2h+o2 2.470e+11 0.000 -1.570e+03 ch3o2+ch3o2=>ch2o+ch3oh+o2 3.110e+14 -1.610 -1.051e+03 ch3o2+ch3o2=>o2+ch3o+ch3o 1.400e+16 -1.610 1.860e+03 ch3o2+h<=>ch3o+oh 9.600e+13 0.000 0.000e+00 ch3o2+o<=>ch3o+o2 3.600e+13 0.000 0.000e+00 ch3o2+oh<=>ch3oh+o2 6.000e+13 0.000 0.000e+00 ch3o2h<=>ch3o+oh 6.310e+14 0.000 4.230e+04 ch2(s)+n2<=>ch2+n2 1.500e+13 0.000 600.00 ch2(s)+ar<=>ch2+ar 9.000e+12 0.000 600.00 ch2(s)+h<=>ch+h2 3.000e+13 0.000 0.00 ch2(s)+o<=>co+h2 1.500e+13 0.000 0.00 ch2(s)+o<=>hco+h 1.500e+13 0.000 0.00 ch2(s)+oh<=>ch2o+h 3.000e+13 0.000 0.00 ch2(s)+h2<=>ch3+h 7.000e+13 0.000 0.00 ch2(s)+o2<=>ch2+o2 1.500e+13 0.000 600.00 ch2(s)+h2o<=>ch2+h2o 3.000e+13 0.000 0.00 ch2(s)+co<=>ch2+co 9.000e+12 0.000 0.00 ch2(s)+co2<=>ch2+co2 7.000e+12 0.000 0.00 ch2(s)+co2<=>ch2o+co 1.400e+13 0.000 0.00 ch2+h(+m)<=>ch3(+m) 2.500e+16 -0.800 0.000e+00 low/ 3.2000e+27 -3.1400e+00 1.2300e+03/ troe/ 6.8000e-01 7.8000e+01 1.9950e+03 5.5900e+03/ h2/ 2/ h2o/ 6/ ar/ .7/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ he/ .7/ ch2+o2<=>ch2o+o 1.26e+06 2.4202 1604.0 ch2+o2<=>co2+h2 2.05e+09 0.9929 -269.4 ch2+o=>co+h+h 5.000e+13 0.000 0.000e+00 ch2+h<=>ch+h2 1.000e+18 -1.560 0.000e+00 dup ch2+oh<=>ch+h2o 1.130e+07 2.000 3.000e+03 ch+o2<=>hco+o 3.300e+13 0.000 0.000e+00 c+oh<=>co+h 5.000e+13 0.000 0.000e+00 c+o2<=>co+o 5.000e+13 0.000 0.000e+00 ch+h<=>c+h2 1.100e+14 0.000 0.00 ch+o<=>co+h 5.700e+13 0.000 0.000e+00 ch+oh<=>hco+h 3.000e+13 0.000 0.000e+00 ch2+h<=>ch+h2 2.700e+11 0.670 2.570e+04 dup ch+h2o<=>h+ch2o 1.713e+13 0.000 -7.550e+02 ch+co2<=>hco+co 1.700e+12 0.000 6.850e+02 ch3+ch3(+m)<=>c2h6(+m) 2.277e+15 -0.69 1.7486e+02 low/ 8.054e+31 -3.75 9.816e+02/ troe/ 0.0 570.0 1.e+30 1.e+30/ h2o/ 5/ co/ 2/ co2/ 3/ c2h5+h(+m)<=>c2h6(+m) 5.210e+17 -0.990 1.580e+03 low/ 1.9900e+41 -7.0800e+00 6.6850e+03/ troe/ 8.4200e-01 1.2500e+02 2.2190e+03 6.8820e+03/ h2/ 2/ h2o/ 6/ ar/ .7/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ he/ .7/ c2h6+h<=>c2h5+h2 1.150e+08 1.900 7.530e+03 c2h6+o<=>c2h5+oh 3.550e+06 2.400 5.830e+03 c2h6+oh<=>c2h5+h2o 1.480e+07 1.900 9.500e+02 c2h6+o2<=>c2h5+ho2 6.030e+13 0.000 5.187e+04 c2h6+ch3<=>c2h5+ch4 5.480e-01 4.000 8.280e+03 c2h6+ho2<=>c2h5+h2o2 3.460e+01 3.610 1.692e+04 c2h6+ch3o2<=>c2h5+ch3o2h 1.940e+01 3.640 1.710e+04 c2h6+ch3o<=>c2h5+ch3oh 2.410e+11 0.000 7.090e+03 c2h6+ch<=>c2h5+ch2 1.100e+14 0.000 -2.600e+02 ch2(s)+c2h6<=>ch3+c2h5 1.200e+14 0.000 0.000e+00 c2h4+h(+m)<=>c2h5(+m) 5.27e+09 1.183 1272.7 low/ 2.027e+40 -6.642e+00 5.769e+03/ troe/ 9.76e-01 9.99e+09 3.84e+02 3.29e+09/ h2/ 2.0/ h2o/ 6.0/ ch4/ 2.0/ co/ 1.5/ co2/ 2.0/ c2h6/ 3.0/ ar/ 0.7/ h2+ch3o2<=>h+ch3o2h 1.500e+14 0.000 2.603e+04 h2+c2h5o2<=>h+c2h5o2h 1.500e+14 0.000 2.603e+04 c2h4+c2h4<=>c2h5+c2h3 4.820e+14 0.000 7.153e+04 ch3+c2h5<=>ch4+c2h4 1.180e+04 2.450 -2.921e+03 ch3+ch3(+m)<=>c2h5+h(+m) 4.989e12 0.099 1.06e4 high/ 3.802e-7 4.838 7.710e3/ sri/ 1.641 4334 2725/ c2h5+h<=>c2h4+h2 2.000e+12 0.000 0.000e+00 c2h5+o<=>ch3cho+h 1.100e+14 0.000 0.000e+00 c2h5+ho2<=>c2h5o+oh 1.100e+13 0.000 0.000e+00 ch3o2+c2h5<=>ch3o+c2h5o 8.000e+12 0.000 -1.000e+03 c2h5o+o2<=>ch3cho+ho2 4.280e+10 0.000 1.097e+03 ch3+ch2o<=>c2h5o 3.000e+11 0.000 6.336e+03 ch3cho+h<=>c2h5o 4.61e+07 1.71 7.09e+03 c2h5o2+ch2o<=>c2h5o2h+hco 1.990e+12 0.000 1.166e+04 ch4+c2h5o2<=>ch3+c2h5o2h 1.810e+11 0.000 1.848e+04 ch3oh+c2h5o2<=>ch2oh+c2h5o2h 1.810e+12 0.000 1.371e+04 c2h5o2+ho2<=>c2h5o2h+o2 1.750e+10 0.000 -3.275e+03 c2h6+c2h5o2<=>c2h5+c2h5o2h 8.600e+00 3.760 1.720e+04 c2h5o2h<=>c2h5o+oh 6.310e+14 0.000 4.230e+04 c2h5+o2<=>c2h5o2 3.398e+53 -13.90 9.279e+03 PLOG/ 0.04 3.398e+53 -13.90 9.279e+03/ PLOG/ 1.00 9.362e+59 -15.28 1.424e+04/ PLOG/ 10.00 1.262e+60 -14.91 1.624e+04/ c2h5+o2<=>c2h4o2h 2.103e+34 -9.01 5.444e+03 PLOG/ 0.04 2.103e+34 -9.01 5.444e+03/ PLOG/ 1.00 4.884e+33 -8.31 7.710e+03/ PLOG/ 10.00 1.705e+45 -11.49 1.459e+04/ c2h5+o2<=>c2h4+ho2 2.094e+09 0.49 -3.914e+02 dup PLOG/ 0.04 2.094e+09 0.49 -3.914e+02/ PLOG/ 1.00 1.843e+07 1.13 -7.206e+02/ PLOG/ 10.00 7.561e+14 -1.01 4.749e+03/ c2h5+o2<=>c2h4+ho2 6.609e+00 3.51 1.416e+04 dup c2h5+o2<=>c2h4o1-2+oh 1.303e+03 1.93 -5.027e+02 PLOG/ 0.04 1.303e+03 1.93 -5.027e+02/ PLOG/ 1.00 2.438e+02 2.18 -6.249e+01/ PLOG/ 10.00 4.621e+09 0.15 5.409e+03/ c2h5+o2<=>ch3cho+oh 4.908e-06 4.76 2.543e+02 PLOG/ 0.04 4.908e-06 4.76 2.543e+02/ PLOG/ 1.00 6.803e-02 3.57 2.643e+03/ PLOG/ 10.00 8.265e+02 2.41 5.285e+03/ c2h4o2h<=>c2h5o2 2.653e-16 6.96 2.396e+03 PLOG/ 0.04 2.653e-16 6.96 2.396e+03/ PLOG/ 1.00 1.064e+41 -10.10 2.603e+04/ PLOG/ 10.00 1.203e+36 -8.13 2.702e+04/ c2h5o2<=>ch3cho+oh 1.237e+35 -9.42 3.636e+04 PLOG/ 0.04 1.237e+35 -9.42 3.636e+04/ PLOG/ 1.00 1.687e+36 -9.22 3.870e+04/ PLOG/ 10.00 2.520e+41 -10.20 4.371e+04/ c2h5o2<=>c2h4+ho2 1.782e+32 -7.10 3.284e+04 PLOG/ 0.04 1.782e+32 -7.10 3.284e+04/ PLOG/ 1.00 2.701e+37 -8.47 3.584e+04/ PLOG/ 10.00 1.980e+38 -8.46 3.790e+04/ c2h5o2<=>c2h4o1-2+oh 5.778e+45 -11.90 4.112e+03 PLOG/ 0.04 5.778e+45 -11.90 4.112e+03/ PLOG/ 1.00 1.916e+43 -10.75 4.240e+04/ PLOG/ 10.00 3.965e+43 -10.46 4.558e+04/ c2h4o2h<=>c2h4o1-2+oh 8.959e+38 -9.40 2.066e+04 PLOG/ 0.04 8.959e+38 -9.40 2.066e+04/ PLOG/ 1.00 1.224e+37 -8.32 2.146e+04/ PLOG/ 10.00 8.848e+30 -6.08 2.066e+04/ c2h4o2h<=>c2h4+ho2 3.918e+40 -10.20 2.225e+04 PLOG/ 0.04 3.918e+40 -10.20 2.225e+04/ PLOG/ 1.00 6.825e+40 -9.61 2.384e+04/ PLOG/ 10.00 3.980e+34 -7.25 2.325e+04/ c2h4o2h<=>ch3cho+oh 5.819e+26 -7.97 2.086e+04 PLOG/ 0.04 5.819e+26 -7.97 2.086e+04/ PLOG/ 1.00 5.520e+34 -9.88 2.623e+04/ PLOG/ 10.00 1.188e+34 -9.02 2.921e+04/ c2h4o1-2<=>ch3+hco 3.630e+13 0.000 5.720e+04 c2h4o1-2<=>ch3cho 7.407e+12 0.000 5.380e+04 c2h4o1-2+oh<=>c2h3o1-2+h2o 1.780e+13 0.000 3.610e+03 c2h4o1-2+h<=>c2h3o1-2+h2 8.000e+13 0.000 9.680e+03 c2h4o1-2+ho2<=>c2h3o1-2+h2o2 1.130e+13 0.000 3.043e+04 c2h4o1-2+ch3o2<=>c2h3o1-2+ch3o2h 1.130e+13 0.000 3.043e+04 c2h4o1-2+c2h5o2<=>c2h3o1-2+c2h5o2h 1.130e+13 0.000 3.043e+04 c2h4o1-2+ch3<=>c2h3o1-2+ch4 1.070e+12 0.000 1.183e+04 c2h4o1-2+ch3o<=>c2h3o1-2+ch3oh 1.200e+11 0.000 6.750e+03 c2h3o1-2<=>ch3co 8.500e+14 0.000 1.400e+04 c2h3o1-2<=>ch2cho 1.000e+14 0.000 1.400e+04 ch3cho(+m)<=>ch3+hco(+m) 2.45e+22 -1.74 86355.02 low/ 1.02976e+59 -11.3 95912.49/ troe/ 0.00249 718.11861 6.08949 3780.01844/ ch3cho(+m)<=>ch4+co(+m) 2.72e+21 -1.74 86355.02 low/ 1.14418e+58 -11.3 95912.49/ troe/ 0.00249 718.11861 6.08949 3780.01844/ ch3cho+h<=>ch3co+h2 1.31e+05 2.58 1.22e+03 ch3cho+h<=>ch2cho+h2 2.72e+03 3.1 5.21e+03 ch3cho+o<=>ch3co+oh 5.940e+12 0.000 1.868e+03 ch3cho+oh<=>ch3co+h2o 3.370e+12 0.000 -6.190e+02 ch3cho+o2<=>ch3co+ho2 3.010e+13 0.000 3.915e+04 ch3cho+ch3<=>ch3co+ch4 7.080e-04 4.580 1.966e+03 ch3cho+ho2<=>ch3co+h2o2 3.010e+12 0.000 1.192e+04 ch3o2+ch3cho<=>ch3o2h+ch3co 3.010e+12 0.000 1.192e+04 ch3cho+ch3co3<=>ch3co+ch3co3h 3.010e+12 0.000 1.192e+04 ch3cho+oh<=>ch3+hocho 3.000e+15 -1.076 0.000e+00 ch3cho+oh<=>ch2cho+h2o 1.720e+05 2.400 8.150e+02 ch3co(+m)<=>ch3+co(+m) 1.07e+12 6.30e-01 1.69e+04 low/ 5.65e+18 -9.70e-01 1.46e+04/ troe/ 6.29e-01 8.73e+09 5.52e+00 7.60e+07/ ch3co+h<=>ch2co+h2 2.000e+13 0.000 0.000e+00 ch3co+o<=>ch2co+oh 2.000e+13 0.000 0.000e+00 ch3co+ch3<=>ch2co+ch4 5.000e+13 0.000 0.000e+00 ch3co+o2<=>ch3co3 1.200e+11 0.000 -1.100e+03 ch3co3+ho2<=>ch3co3h+o2 1.750e+10 0.000 -3.275e+03 h2o2+ch3co3<=>ho2+ch3co3h 2.410e+12 0.000 9.936e+03 ch4+ch3co3<=>ch3+ch3co3h 1.810e+11 0.000 1.848e+04 ch2o+ch3co3<=>hco+ch3co3h 1.990e+12 0.000 1.166e+04 c2h6+ch3co3<=>c2h5+ch3co3h 1.700e+13 0.000 2.046e+04 ch3co3h<=>ch3co2+oh 5.010e+14 0.000 4.015e+04 ch3co2+m<=>ch3+co2+m 4.400e+15 0.000 1.050e+04 ch2cho(+m)<=>ch2co+h(+m) 1.43e+15 -1.50e-01 4.56e+04 low/ 6.00e+29 -3.8 43423.898/ troe/ 9.85e-01 3.93e+02 9.80e+09 5.00e+09/ ch2cho(+m)<=>ch3+co(+m) 2.93e+12 2.90e-01 4.03e+04 low/ 9.52e+33 -5.07e+00 4.13e+04/ troe/ 7.13e-17 1.15e+03 4.99e+09 1.79e+09/ ch2cho+o2<=>o2ch2cho 1.58e77 -21.9 1.935e4 PLOG/ 0.01 1.58e77 -21.9 1.935e4/ PLOG/ 0.1 3.88e69 -18.84 1.924e4/ PLOG/ 1.0 7.8e59 -15.4 1.765e4/ PLOG/ 10.0 3.05e50 -12.2 1.563e4/ ch2cho+o2<=>ch2co+ho2 1.88e+5 2.37 2.373e4 PLOG/ 0.01 1.88e+5 2.37 2.373e4/ PLOG/ 0.1 1.88e5 2.37 2.737e4/ PLOG/ 1.0 2.51e5 2.33 2.38e4/ PLOG/ 10.0 7.05e7 1.63 2.529e4/ ch2cho+o2<=>ch2o+co+oh 2.680e+17 -1.840 6.530e+03 PLOG/ 0.01 2.680e+17 -1.840 6.530e+03/ PLOG/ 0.10 1.520e+20 -2.580 8.980e+03/ PLOG/ 1.0 1.650e+19 -2.220 1.034e+04/ PLOG/ 10.0 8.953e+13 -0.600 1.012e+04/ ch2cho+o2<=>ho2ch2co 3.64e65 -21.87 1.902e4 PLOG/ 0.01 3.64e65 -21.87 1.902e4/ PLOG/ 0.10 3.64e58 -19.0 1.909e4/ PLOG/ 1.0 6.65e48 -15.55 1.746e4/ PLOG/ 10.0 4.8e38 -12.14 1.496e4/ o2ch2cho<=>ho2ch2co 8.27e30 -6.65 2.450e4 PLOG/ 0.01 8.27e30 -6.65 2.450e4/ PLOG/ 0.1 1.73e26 -4.99 2.376e4/ PLOG/ 1.0 9.03e19 -2.92 2.217e4/ PLOG/ 10.0 1.43e16 -1.67 2.121e4/ o2ch2cho<=>ch2co+ho2 2.05e40 -13.31 5.215e4 PLOG/ 0.01 2.05e40 -13.31 5.215e4/ PLOG/ 0.1 5.72e45 -14.0 5.22e4/ PLOG/ 1.0 4.16e55 -15.76 5.508e4/ PLOG/ 10.0 1.12e61 -16.04 6.001e4/ ho2ch2co<=>co+ch2o+oh 2.36e17 -2.95 8.1e3 PLOG/ 0.01 2.36e17 -2.95 8.1e3/ PLOG/ 0.1 2.38e18 -2.95 8.1e3/ PLOG/ 1.0 2.51e19 -2.95 8.11e3/ PLOG/ 10.0 4.16e20 -3.02 8.24e3/ ho2ch2co<=>ch2co+ho2 1.12e7 -3.76 2.168e4 PLOG/ 0.01 1.12e7 -3.76 2.168e4/ PLOG/ 0.1 1.1e8 -3.76 2.168e4/ PLOG/ 1.0 9.2e8 -3.73 2.163e4/ PLOG/ 10.0 2.09e9 -3.55 2.122e4/ ch2+co(+m)<=>ch2co(+m) 8.100e+11 0.000 0.000e+00 low/ 2.6900e+33 -5.1100e+00 7.0950e+03/ troe/ 5.9070e-01 2.7500e+02 1.2260e+03 5.1850e+03/ h2/ 2/ h2o/ 6/ ar/ .7/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ he/ .7/ ch3co(+m)<=>ch2co+h(+m) 9.41300e+07 1.91660e+00 4.49872e+04 low/ 1.51600e+51 -1.02700e+01 5.53900e+04/ troe/ 6.008840e-01 8.103411e+09 6.676688e+02 5.000000e+09/ ch2co+h<=>hcco+h2 1.40068e15 -0.17131 8783.15059 ch2co+h<=>ch3+co 7.70374e+13 -0.17131 4183.15059 ch2co+o<=>ch2+co2 1.750e+12 0.000 1.350e+03 ch2co+o<=>hcco+oh 1.000e+13 0.000 8.000e+03 ch2co+oh<=>hcco+h2o 1.000e+13 0.000 2.000e+03 ch2co+oh<=>ch2oh+co 2.000e+12 0.000 -1.010e+03 ch2co+ch3<=>c2h5+co 4.769e+04 2.31199 9.468e3 ch2(s)+ch2co<=>c2h4+co 1.600e+14 0.000 0.000e+00 hcco+oh=>h2+co+co 1.000e+14 0.000 0.000e+00 hcco+o=>h+co+co 8.000e+13 0.000 0.000e+00 hcco+h<=>ch2(s)+co 1.000e+14 0.000 0.00 hcco+o2=>oh+co+co 1.91e+11 -0.02 1.02e+03 hcco+o2=>co2+co+h 4.78e+12 -0.142 1.15e+03 ch+co+m<=>hcco+m 7.57e22 -1.9 0.0 ch+ch2o<=>h+ch2co 9.460e+13 0.000 -5.150e+02 ch+hcco<=>co+c2h2 5.000e+13 0.000 0.000e+00 c2h3+h(+m)<=>c2h4(+m) 6.080e+12 0.270 2.800e+02 low/ 1.4000e+30 -3.8600e+00 3.3200e+03/ troe/ 7.8200e-01 2.0750e+02 2.6630e+03 6.0950e+03/ h2/ 2/ h2o/ 6/ ar/ .7/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ he/ .7/ c2h4(+m)<=>h2+h2cc(+m) 8.000e+12 0.440 88770.00 low/ 7.000e+50 -9.310 99860.00/ troe/ 0.7345 180.0 1035.00 5417.0/ h2/ 2.0/ h2o/ 6.0/ ch4/ 2.0/ co/ 1.5/ co2/ 2.0/ c2h6/ 3.0/ ar/ 0.7/ c2h4+h<=>c2h3+h2 5.070e+07 1.930 1.295e+04 c2h4+o<=>ch3+hco 6.775e+06 1.880 1.830e+02 c2h4+o<=>ch2cho+h 6.775e+06 1.880 1.830e+02 c2h4+oh<=>c2h3+h2o 2.23e+4 2.745 2.2155e+3 c2h4+oh<=>ch3+ch2o 5.35e+00 2.92 -1732.664 PLOG/ 0.01 5.35e+00 2.92 -1732.664/ PLOG/ 0.025 3.19e+01 2.71 -1172.33/ PLOG/ 0.1 5.55e+02 2.36 -180.817/ PLOG/ 1.00 1.78e+05 1.68 2060.519/ PLOG/ 10.00 2.37e+09 0.56 6006.701/ PLOG/ 100.00 2.76e+13 -0.5 11455.055/ c2h4+oh<=>ch3cho+h 2.37e-07 5.3 -2050.584 PLOG/ 0.01 2.37e-07 5.3 -2050.584/ PLOG/ 0.025 8.73e-05 4.57 -617.957/ PLOG/ 0.1 4.03e-01 3.54 1881.689/ PLOG/ 1.00 2.38e-02 3.91 1722.729/ PLOG/ 10.00 8.25e+08 1.01 10507.256/ PLOG/ 100.00 6.80e+09 0.81 13867.273/ c2h4+oh<=>c2h3oh+h 1.04e+04 2.6 4121.038 PLOG/ 0.01 1.04e+04 2.6 4121.038/ PLOG/ 0.025 1.07e+04 2.6 4128.986/ PLOG/ 0.1 1.52e+04 2.56 4238.271/ PLOG/ 1.00 3.19e+05 2.19 5255.615/ PLOG/ 10.00 1.94e+08 1.43 7828.78/ PLOG/ 100.00 8.55e+10 0.75 11490.821/ c2h4+oh<=>pc2h4oh 1.74e+43 -10.46086 7698.72927 PLOG/ 0.01 1.74e+43 -10.46086 7698.72927/ PLOG/ 0.025 3.25e+37 -8.62888 5214.65591/ PLOG/ 0.1 1.84e+35 -7.75006 4908.85935/ PLOG/ 1.00 2.56e+36 -7.75206 6946.10961/ PLOG/ 10.00 3.70e+33 -6.57294 7605.89462/ PLOG/ 100.00 1.12e+26 -4.10119 5756.95429/ c2h3oh+o2<=>ch2cho+ho2 5.310e+11 0.210 3.983e+04 c2h3oh+o<=>ch2cho+oh 1.875e+06 1.900 -8.600e+02 c2h3oh+oh<=>ch2cho+h2o 3.330e+09 1.100 5.405e+02 c2h3oh+ch3<=>ch2cho+ch4 2.030e-08 5.900 1.052e+03 c2h3oh+ch3o2<=>ch2cho+ch3o2h 3.400e+03 2.500 8.922e+03 c2h3oh+h<=>ch2cho+h2 1.48e+03 3.077 7.22e+03 c2h3oh+h<=>c2h2oh+h2 2.47e+07 2.03 1.52e+04 c2h3oh+h<=>pc2h4oh 3.01e+08 1.577 3.67e+03 c2h3oh+ho2<=>ch3cho+ho2 1.49e+05 1.67 6.81e+03 c2h3oh<=>ch3cho 7.42e+46 -10.56 6.742e+04 PLOG/ 0.1 7.42e+46 -10.56 6.742e+04/ PLOG/ 1.0 4.42e+42 -9.09 67069.198/ PLOG/ 100.0 2.90e+27 -4.35 61612.896/ c2h4+ch3<=>c2h3+ch4 6.620e+00 3.700 9.500e+03 c2h4+o2<=>c2h3+ho2 4.220e+13 0.000 57623.09 c2h4+ch3o<=>c2h3+ch3oh 1.200e+11 0.000 6.750e+03 c2h4+ch3o2<=>c2h3+ch3o2h 8.59 3.754 27132.0 c2h4+c2h5o2<=>c2h3+c2h5o2h 8.59 3.754 27132.0 c2h4+ch3co3<=>c2h3+ch3co3h 1.130e+13 0.000 3.043e+04 c2h4+ch3o2<=>c2h4o1-2+ch3o 2.820e+12 0.000 1.711e+04 c2h4+c2h5o2<=>c2h4o1-2+c2h5o 2.820e+12 0.000 1.711e+04 c2h4+ho2<=>c2h4o1-2+oh 5.575e+11 0.000 1.719e+04 ch+ch4<=>c2h4+h 6.000e+13 0.000 0.000e+00 ch2(s)+ch3<=>c2h4+h 2.000e+13 0.000 0.000e+00 c2h2+h(+m)<=>c2h3(+m) 1.71e+10 1.266 2709.0 low/ 6.346e31 -4.664 3780.0/ troe/ 0.76 1e30 1e-30/ h2/ 2/ h2o/ 6/ ar/ .7/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ he/ .7/ c2h3+o2<=>ch2o+hco 1.70e+29 -5.312 6503.11 c2h3+o2<=>ch2cho+o 7.00e+14 -0.611 5262.43 c2h3+o2=>h+co+ch2o 5.19e+15 -1.26 3312.62 ch3+c2h3<=>ch4+c2h2 3.920e+11 0.000 0.000e+00 c2h3+h<=>c2h2+h2 9.0e+13 0.00 0.000e+00 c2h3+h<=>h2cc+h2 6.0e+13 0.00 0.000e+00 c2h3+oh<=>c2h2+h2o 3.011e+13 0.000 0.000e+00 c2h3+c2h3<=>c2h2+c2h4 9.600e+11 0.00 0.0 c2h+h(+m)<=>c2h2(+m) 1.000e+17 0.000 0.000e+00 low/ 3.7500e+33 -4.8000e+00 1.9000e+03/ troe/ 6.4600e-01 1.3200e+02 1.3150e+03 5.5660e+03/ h2/ 2/ h2o/ 6/ ar/ .7/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ he/ .7/ c2h2(+m)<=>h2cc(+m) 8.000e+14 -0.520 50750.00 low/ 2.450e+15 -0.640 49700.00/ h2/ 2.0/ h2o/ 6.0/ ch4/ 2.0/ co/ 1.5/ co2/ 2.0/ c2h6/ 3.0/ c2h2/ 2.5/ c2h4/ 2.5/ c2h2+o<=>ch2+co 7.395e+08 1.28 2.472e+03 c2h2+o<=>hcco+h 2.958e+09 1.28 2.472e+03 c2h2+oh<=>c2h+h2o 2.632e+06 2.14 1.706e+04 c2h2+oh<=>hccoh+h 2.800e+05 2.28 1.242e+04 PLOG/ 0.01 2.800e+05 2.28 1.242e+04/ PLOG/ 0.025 7.467e+05 2.16 1.255e+04/ PLOG/ 0.1 1.776e+06 2.04 1.267e+04/ PLOG/ 1.0 2.415e+06 2.00 1.271e+04/ PLOG/ 10.0 3.210e+06 1.97 1.281e+04/ PLOG/ 100.0 7.347e+06 1.89 1.360e+04/ c2h2+oh<=>ch2co+h 1.578e+03 2.56 -8.445e+02 PLOG/ 0.01 1.578e+03 2.56 -8.445e+02/ PLOG/ 0.025 1.518e+04 2.28 -2.921e+02/ PLOG/ 0.1 3.017e+05 1.92 5.981e+02/ PLOG/ 1.0 7.528e+06 1.55 2.106e+03/ PLOG/ 10.0 5.101e+06 1.65 3.400e+03/ PLOG/ 100.0 1.457e+04 2.45 4.477e+03/ c2h2+oh<=>ch3+co 4.757e+05 1.68 -3.298e+02 PLOG/ 0.01 4.757e+05 1.68 -3.298e+02/ PLOG/ 0.025 4.372e+06 1.40 2.265e+02/ PLOG/ 0.1 7.648e+07 1.05 1.115e+03/ PLOG/ 1.0 1.277e+09 0.73 2.579e+03/ PLOG/ 10.0 4.312e+08 0.92 3.736e+03/ PLOG/ 100.0 8.250e+05 1.77 4.697e+03/ c2h2+oh<=>c2h2oh 3.913e+32 -7.126 5.824e+03 PLOG/ 0.01 3.913e+32 -7.126 5.824e+03/ PLOG/ 0.025 1.067e+32 -6.847 5.508e+03/ PLOG/ 0.1 1.646e+32 -6.717 5.822e+03/ PLOG/ 1.0 1.387e+31 -6.087 6.348e+03/ PLOG/ 10.0 2.892e+29 -5.288 7.055e+03/ PLOG/ 100.0 1.367e+25 -3.754 6.543e+03/ c2h2+hco<=>c2h3+co 1.000e+07 2.000 6000.00 c2h2+ch2<=>c3h3+h 1.200e+13 0.000 6620.00 c2h2+ch2(s)<=>c3h3+h 2.000e+13 0.000 0.00 c2h2+hcco<=>c3h3+co 1.00e+11 0.000 3000.00 h2cc+h<=>c2h2+h 1.000e+14 0.00 0.00 h2cc+oh<=>ch2co+h 2.000e+13 0.00 0.00 h2cc+o2<=>hco+hco 1.000e+13 0.00 0.00 h+hccoh<=>h+ch2co 1.000e+13 0.000 0.000e+00 c2h5oh<=>c2h4+h2o 3.41e+59 -1.42e+01 83672.57 PLOG/ 0.001 3.41e+59 -1.42e+01 83672.57/ PLOG/ 0.01 2.62e+57 -1.33e+01 85262.17/ PLOG/ 0.1 1.65e+52 -1.15e+01 84745.55/ PLOG/ 1.0 5.23e+43 -8.90e+00 81506.74/ PLOG/ 10.0 4.59e+32 -5.60e+00 76062.36/ PLOG/ 100.0 3.84e+20 -2.06e+00 69465.52/ c2h5oh<=>ch3+ch2oh 1.20e+54 -1.29e+01 100005.71 PLOG/ 0.001 1.20e+54 -1.29e+01 100005.71/ PLOG/ 0.01 5.18e+59 -1.40e+01 99906.36/ PLOG/ 0.1 1.62e+66 -1.53e+01 105390.48/ PLOG/ 1.0 5.55e+64 -1.45e+01 106183.00/ PLOG/ 10.0 1.55e+58 -1.23e+01 105768.01/ PLOG/ 100.0 1.78e+47 -8.96e+00 101058.82/ c2h5oh<=>c2h5+oh 8.10e+46 -1.13e+01 111053.43 PLOG/ 0.001 8.10e+46 -1.13e+01 111053.43/ PLOG/ 0.01 1.86e+56 -1.35e+01 107238.39/ PLOG/ 0.1 4.65e+63 -1.50e+01 109622.79/ PLOG/ 1.0 4.46e+65 -1.49e+01 112344.98/ PLOG/ 10.0 2.79e+61 -1.34e+01 113080.17/ PLOG/ 100.0 6.17e+51 -1.03e+01 109940.71/ c2h5oh+o2<=>pc2h4oh+ho2 2.000e+13 0.000 5.280e+04 c2h5oh+o2<=>sc2h4oh+ho2 1.500e+13 0.000 5.015e+04 c2h5oh+h<=>sc2h4oh+h2 8.79e+04 2.68 2.91e+03 c2h5oh+h<=>pc2h4oh+h2 5.31e+04 2.81 7.49e+03 c2h5oh+h<=>c2h5o+h2 9.45e+02 3.14 8701.073 c2h5oh+oh<=>sc2h4oh+h2o 7.17e+04 2.54 -1533.964 c2h5oh+oh<=>pc2h4oh+h2o 5.70e+00 3.38 -2394.335 c2h5oh+oh<=>c2h5o+h2o 5.81e-03 4.28 -3.56e+03 c2h5oh+ho2<=>sc2h4oh+h2o2 0.028 4.32 8.53e+03 c2h5oh+ho2<=>pc2h4oh+h2o2 0.00904 4.54 11967.8996 c2h5oh+ho2<=>c2h5o+h2o2 0.00562 4.12 1.74e+04 c2h5oh+ch3o2<=>pc2h4oh+ch3o2h 1.230e+04 2.550 1.575e+04 c2h5oh+ch3o2<=>sc2h4oh+ch3o2h 8.200e+03 2.550 1.075e+04 c2h5oh+ch3o2<=>c2h5o+ch3o2h 2.500e+12 0.000 2.400e+04 c2h5oh+o<=>pc2h4oh+oh 9.690e+02 3.230 4.658e+03 c2h5oh+o<=>sc2h4oh+oh 1.450e+05 2.470 8.760e+02 c2h5oh+o<=>c2h5o+oh 1.460e-03 4.730 1.727e+03 c2h5oh+ch3<=>pc2h4oh+ch4 3.300e+02 3.300 1.229e+04 c2h5oh+ch3<=>sc2h4oh+ch4 1.993e+01 3.370 7.634e+03 c2h5oh+ch3<=>c2h5o+ch4 2.035e+00 3.570 7.721e+03 c2h5oh+c2h5<=>pc2h4oh+c2h6 5.000e+10 0.000 1.340e+04 c2h5oh+c2h5<=>sc2h4oh+c2h6 5.000e+10 0.000 1.040e+04 sc2h4oh<=>ch3cho+h 5.69e+52 -13.38 45049 PLOG/ 1.00e-03 5.69e+52 -13.38 45049/ PLOG/ 1.00e-02 3.29e+56 -14.12 48129/ PLOG/ 1.00e-01 8.58e+57 -14.16 50743/ PLOG/ 1.00e+00 5.36e+55 -13.15 51886/ PLOG/ 1.00e+01 1.66e+48 -10.64 50297/ PLOG/ 2.00e+01 8.26e+44 -9.59 49218/ PLOG/ 5.00e+01 1.01e+40 -8.06 47439/ PLOG/ 1.00e+02 1.10e+36 -6.84 45899/ sc2h4oh<=>c2h3oh+h 5.40e+46 -11.63 44323 PLOG/ 1.00e-03 5.40e+46 -11.63 44323/ PLOG/ 1.00e-02 1.21e+51 -12.55 47240/ PLOG/ 1.00e-01 2.87e+54 -13.15 50702/ PLOG/ 1.00e+00 3.79e+53 -12.51 52560/ PLOG/ 1.00e+01 6.33e+46 -10.2 51441/ PLOG/ 2.00e+01 3.87e+43 -9.17 50440/ PLOG/ 5.00e+01 5.08e+38 -7.65 48713/ PLOG/ 1.00e+02 5.12e+34 -6.41 47182/ sc2h4oh<=>c2h5o 5.48e+45 -11.63 44328 PLOG/ 1.00e-03 5.48e+45 -11.63 44328/ PLOG/ 1.00e-02 2.54e+49 -12.37 46445/ PLOG/ 1.00e-01 1.65e+54 -13.4 50330/ PLOG/ 1.00e+00 1.81e+55 -13.31 53132/ PLOG/ 1.00e+01 4.58e+49 -11.32 52714/ PLOG/ 2.00e+01 4.11e+46 -10.33 51834/ PLOG/ 5.00e+01 6.68e+41 -8.83 50202/ PLOG/ 1.00e+02 6.54e+37 -7.58 48697/ sc2h4oh<=>pc2h4oh 2.65e+36 -8.86 51019 PLOG/ 1.00e-03 2.65e+36 -8.86 51019/ PLOG/ 1.00e-02 3.56e+37 -8.89 51114/ PLOG/ 1.00e-01 4.14e+39 -9.19 51912/ PLOG/ 1.00e+00 5.82e+44 -10.34 55296/ PLOG/ 1.00e+01 4.26e+48 -11.06 59458/ PLOG/ 2.00e+01 8.84e+47 -10.74 59901/ PLOG/ 5.00e+01 2.23e+45 -9.84 59604/ PLOG/ 1.00e+02 1.70e+42 -8.83 58737/ o2c2h4oh<=>pc2h4oh+o2 3.900e+16 -1.000 3.000e+04 o2c2h4oh=>oh+ch2o+ch2o 3.125e+09 0.000 1.890e+04 sc2h4oh+o2<=>ch3cho+ho2 5.26e+17 -1.638 869 PLOG/ 0.01 5.26e+17 -1.637 838/ PLOG/ 0.1 5.26e+17 -1.637 838/ PLOG/ 1.0 5.28e+17 -1.638 839/ PLOG/ 10.0 1.54e+18 -1.771 1120/ PLOG/ 100.0 3.78e+20 -2.429 3090/ sc2h4oh+o2<=>c2h3oh+ho2 55.12e+02 2.495 -414 PLOG/ 0.01 5.12e+02 2.496 -414/ PLOG/ 0.1 5.33e+02 2.49 -402/ PLOG/ 1.0 7.62e+02 2.446 -296/ PLOG/ 10.0 8.92e+03 2.146 470/ PLOG/ 100.0 4.38e+05 1.699 2330/ ch3coch3(+m)<=>ch3co+ch3(+m) 7.108e+21 -1.570 8.468e+04 low/ 7.0130e+89 -2.0380e+01 1.0715e+05/ troe/ 8.6300e-01 1.0000e+10 4.1640e+02 3.2900e+09/ ch3coch3+oh<=>ch3coch2+h2o 1.250e+05 2.483 4.450e+02 ch3coch3+h<=>ch3coch2+h2 9.800e+05 2.430 5.160e+03 ch3coch3+o<=>ch3coch2+oh 5.130e+11 0.211 4.890e+03 ch3coch3+ch3<=>ch3coch2+ch4 3.960e+11 0.000 9.784e+03 ch3coch3+ch3o<=>ch3coch2+ch3oh 4.340e+11 0.000 6.460e+03 ch3coch3+o2<=>ch3coch2+ho2 6.030e+13 0.000 4.850e+04 ch3coch3+ho2<=>ch3coch2+h2o2 1.700e+13 0.000 2.046e+04 ch3coch3+ch3o2<=>ch3coch2+ch3o2h 1.700e+13 0.000 2.046e+04 ch2co+ch3<=>ch3coch2 1.76e4 2.48 6130.0 ch3coch2+o2<=>ch3coch2o2 1.200e+11 0.000 -1.100e+03 ch3coch3+ch3coch2o2<=>ch3coch2+c3ket21 1.000e+11 0.000 5.000e+03 ch2o+ch3coch2o2<=>hco+c3ket21 1.288e+11 0.000 9.000e+03 ho2+ch3coch2o2<=>c3ket21+o2 1.000e+12 0.000 0.000e+00 c2h3+hco<=>c2h3cho 1.810e+13 0.000 0.000e+00 c2h3cho+h<=>c2h3co+h2 1.340e+13 0.000 3.300e+03 c2h3cho+o<=>c2h3co+oh 5.940e+12 0.000 1.868e+03 c2h3cho+oh<=>c2h3co+h2o 9.240e+06 1.500 -9.620e+02 c2h3cho+o2<=>c2h3co+ho2 1.005e+13 0.000 4.070e+04 c2h3cho+ho2<=>c2h3co+h2o2 3.010e+12 0.000 1.192e+04 c2h3cho+ch3<=>c2h3co+ch4 2.608e+06 1.780 5.911e+03 c2h3cho+c2h3<=>c2h3co+c2h4 1.740e+12 0.000 8.440e+03 c2h3cho+ch3o<=>c2h3co+ch3oh 1.000e+12 0.000 3.300e+03 c2h3cho+ch3o2<=>c2h3co+ch3o2h 3.010e+12 0.000 1.192e+04 c2h3+co<=>c2h3co 1.510e+11 0.000 4.810e+03 c2h5+hco<=>c2h5cho 1.810e+13 0.000 0.000e+00 c2h5cho+h<=>c2h5co+h2 4.000e+13 0.000 4.200e+03 c2h5cho+o<=>c2h5co+oh 5.000e+12 0.000 1.790e+03 c2h5cho+oh<=>c2h5co+h2o 2.690e+10 0.760 -3.400e+02 c2h5cho+ch3<=>c2h5co+ch4 2.608e+06 1.780 5.911e+03 c2h5cho+ho2<=>c2h5co+h2o2 2.800e+12 0.000 1.360e+04 c2h5cho+ch3o<=>c2h5co+ch3oh 1.000e+12 0.000 3.300e+03 c2h5cho+ch3o2<=>c2h5co+ch3o2h 3.010e+12 0.000 1.192e+04 c2h5cho+c2h5<=>c2h5co+c2h6 1.000e+12 0.000 8.000e+03 c2h5cho+c2h5o<=>c2h5co+c2h5oh 6.026e+11 0.000 3.300e+03 c2h5cho+c2h5o2<=>c2h5co+c2h5o2h 3.010e+12 0.000 1.192e+04 c2h5cho+o2<=>c2h5co+ho2 1.005e+13 0.000 4.070e+04 c2h5cho+ch3co3<=>c2h5co+ch3co3h 3.010e+12 0.000 1.192e+04 c2h5cho+c2h3<=>c2h5co+c2h4 1.700e+12 0.000 8.440e+03 c2h5+co<=>c2h5co 1.510e+11 0.000 4.810e+03 ch3och3(+m)<=>ch3+ch3o(+m) 4.38e+21 -1.57 8.389e+04 low/ 7.5200e+15 0.0 4.279e+04/ troe/ 0.454 1.0e-30 2.51e3/ ch3och3+oh<=>ch3och2+h2o 6.324e+06 2.000 -6.517e+02 ch3och3+h<=>ch3och2+h2 7.721e+06 2.090 3.384e+03 ch3och3+o<=>ch3och2+oh 7.750e+08 1.360 2.250e+03 ch3och3+ho2<=>ch3och2+h2o2 1.680e+13 0.000 1.769e+04 ch3och3+ch3o2<=>ch3och2+ch3o2h 3.120e+02 3.12 1.319e+04 ch3och3+ch3<=>ch3och2+ch4 1.445e-06 5.730 5.700e+03 ch3och3+o2<=>ch3och2+ho2 4.100e+13 0.000 4.491e+04 ch3och3+ch3o<=>ch3och2+ch3oh 6.020e+11 0.000 4.074e+03 ch3och3+ch3och2o2<=>ch3och2+ch3och2o2h 5.000e+12 0.000 1.769e+04 ch3och3+o2cho<=>ch3och2+ho2cho 4.425e+04 2.600 1.391e+04 ch3och3+ocho<=>ch3och2+hocho 1.000e+13 0.000 1.769e+04 ch3och2<=>ch2o+ch3 1.600e+13 0.000 2.550e+04 ch3och2+ch3o<=>ch3och3+ch2o 2.410e+13 0.000 0.000e+00 ch3och2+ch2o<=>ch3och3+hco 5.490e+03 2.800 5.862e+03 ch3och2+ch3cho<=>ch3och3+ch3co 1.260e+12 0.000 8.499e+03 ch3och2+o2<=>ch3och2o2 2.000e+12 0.000 0.000e+00 ch3och2o2+ch2o<=>ch3och2o2h+hco 1.000e+12 0.000 1.166e+04 ch3och2o2+ch3cho<=>ch3och2o2h+ch3co 2.800e+12 0.000 1.360e+04 ch3och2o2+ch3och2o2=>o2+ch3och2o+ch3och2o 1.547e+23 -4.500 0.000e+00 ch3och2o+oh<=>ch3och2o2h 2.000e+13 0.000 0.000e+00 ch3o+ch2o<=>ch3och2o 1.000e+11 0.000 1.190e+04 ch3och2o+o2<=>ch3ocho+ho2 5.000e+10 0.000 5.000e+02 ch3ocho+h<=>ch3och2o 1.000e+13 0.000 7.838e+03 ch3och2o2<=>ch2och2o2h 6.000e+10 0.000 2.158e+04 ch2och2o2h=>oh+ch2o+ch2o 1.500e+13 0.000 1.976e+04 ch2och2o2h+o2<=>o2ch2och2o2h 7.000e+11 0.000 0.000e+00 o2ch2och2o2h<=>ho2ch2ocho+oh 4.000e+10 0.000 1.858e+04 ho2ch2ocho<=>och2ocho+oh 2.000e+16 0.000 4.150e+04 ch2o+ocho<=>och2ocho 1.250e+11 0.000 1.190e+04 och2ocho<=>hoch2oco 1.000e+11 0.000 1.400e+04 hoch2o+co<=>hoch2oco 1.500e+11 0.000 4.800e+03 ch2oh+co2<=>hoch2oco 1.500e+11 0.000 3.572e+04 ch2ocho+h<=>ch3ocho 1.000e+14 0.000 0.000e+00 ch3oco+h<=>ch3ocho 1.000e+14 0.000 0.000e+00 ch3ocho(+m)<=>ch3oh+co(+m) 1.000e+14 0.000 6.250e+04 low/ 6.1430e+60 -1.2070e+01 7.5400e+04/ troe/ 7.8000e-01 8.2800e+09 4.3890e+02 6.7000e+08/ ch3o+hco<=>ch3ocho 3.000e+13 0.000 0.000e+00 ch3+ocho<=>ch3ocho 1.000e+13 0.000 0.000e+00 ch3ocho+o2<=>ch3oco+ho2 1.000e+13 0.000 4.970e+04 ch3ocho+o2<=>ch2ocho+ho2 2.050e+13 0.000 5.200e+04 ch3ocho+oh<=>ch3oco+h2o 1.580e+07 1.800 9.340e+02 ch3ocho+oh<=>ch2ocho+h2o 5.270e+09 0.970 1.586e+03 ch3ocho+ho2<=>ch3oco+h2o2 4.820e+03 2.600 1.391e+04 ch3ocho+ho2<=>ch2ocho+h2o2 2.380e+04 2.550 1.649e+04 ch3ocho+o<=>ch3oco+oh 2.755e+05 2.450 2.830e+03 ch3ocho+o<=>ch2ocho+oh 9.800e+05 2.430 4.750e+03 ch3ocho+h<=>ch3oco+h2 6.500e+05 2.400 4.471e+03 ch3ocho+h<=>ch2ocho+h2 6.650e+05 2.540 6.756e+03 ch3ocho+ch3<=>ch3oco+ch4 7.550e-01 3.460 5.481e+03 ch3ocho+ch3<=>ch2ocho+ch4 4.520e-01 3.650 7.154e+03 ch3ocho+ch3o<=>ch3oco+ch3oh 5.480e+11 0.000 5.000e+03 ch3ocho+ch3o<=>ch2ocho+ch3oh 2.170e+11 0.000 6.458e+03 ch3ocho+ch3o2<=>ch3oco+ch3o2h 4.820e+03 2.600 1.391e+04 ch3ocho+ch3o2<=>ch2ocho+ch3o2h 2.380e+04 2.550 1.649e+04 ch3ocho+hco<=>ch3oco+ch2o 5.400e+06 1.900 1.701e+04 ch3ocho+hco<=>ch2ocho+ch2o 1.025e+05 2.500 1.843e+04 ch3oco<=>ch2ocho 1.629e+12 -0.180 4.067e+04 ch3+co2<=>ch3oco 4.760e+07 1.54 3.470e+04 ch3o+co<=>ch3oco 1.550e+06 2.02 5.730e+03 ch2o+hco<=>ch2ocho 1.500e+11 0.00 1.190e+04 c3h8(+m)<=>ch3+c2h5(+m) 1.290e+37 -5.840 9.738e+04 low/ 5.6400e+74 -1.5740e+01 9.8714e+04/ troe/ 3.1000e-01 5.0000e+01 3.0000e+03 9.0000e+03/ h2/ 2/ h2o/ 6/ ar/ .7/ co/ 1.5/ co2/ 2/ ch4/ 2/ c2h6/ 3/ he/ .7/ nc3h7+h<=>c3h8 1.000e+14 0.000 0.000e+00 ic3h7+h<=>c3h8 1.000e+14 0.000 0.000e+00 c3h8+o2<=>ic3h7+ho2 2.000e+13 0.000 4.964e+04 c3h8+o2<=>nc3h7+ho2 6.000e+13 0.000 5.229e+04 h+c3h8<=>h2+ic3h7 1.300e+06 2.400 4.471e+03 h+c3h8<=>h2+nc3h7 3.490e+05 2.690 6.450e+03 c3h8+o<=>ic3h7+oh 5.490e+05 2.500 3.140e+03 c3h8+o<=>nc3h7+oh 3.710e+06 2.400 5.505e+03 c3h8+oh<=>nc3h7+h2o 1.054e+10 0.970 1.586e+03 c3h8+oh<=>ic3h7+h2o 4.670e+07 1.610 -3.500e+01 c3h8+ho2<=>ic3h7+h2o2 6.320e+01 3.370 1.372e+04 c3h8+ho2<=>nc3h7+h2o2 4.080e+01 3.590 1.716e+04 ch3+c3h8<=>ch4+ic3h7 6.400e+04 2.170 7.520e+03 ch3+c3h8<=>ch4+nc3h7 9.040e-01 3.650 7.154e+03 ic3h7+c3h8<=>nc3h7+c3h8 3.000e+10 0.000 1.290e+04 c2h3+c3h8<=>c2h4+ic3h7 1.000e+11 0.000 1.040e+04 c2h3+c3h8<=>c2h4+nc3h7 1.000e+11 0.000 1.040e+04 c2h5+c3h8<=>c2h6+ic3h7 1.000e+11 0.000 1.040e+04 c2h5+c3h8<=>c2h6+nc3h7 1.000e+11 0.000 1.040e+04 c3h8+c3h5-a<=>nc3h7+c3h6 7.940e+11 0.000 2.050e+04 c3h8+c3h5-a<=>ic3h7+c3h6 7.940e+11 0.000 1.620e+04 c3h8+ch3o<=>nc3h7+ch3oh 3.000e+11 0.000 7.000e+03 c3h8+ch3o<=>ic3h7+ch3oh 3.000e+11 0.000 7.000e+03 ch3o2+c3h8<=>ch3o2h+nc3h7 1.386e+00 3.970 1.828e+04 ch3o2+c3h8<=>ch3o2h+ic3h7 1.019e+01 3.580 1.481e+04 c2h5o2+c3h8<=>c2h5o2h+nc3h7 1.386e+00 3.970 1.828e+04 c2h5o2+c3h8<=>c2h5o2h+ic3h7 1.019e+01 3.580 1.481e+04 nc3h7o2+c3h8<=>nc3h7o2h+nc3h7 1.700e+13 0.000 2.046e+04 nc3h7o2+c3h8<=>nc3h7o2h+ic3h7 2.000e+12 0.000 1.700e+04 ic3h7o2+c3h8<=>ic3h7o2h+nc3h7 1.700e+13 0.000 2.046e+04 ic3h7o2+c3h8<=>ic3h7o2h+ic3h7 2.000e+12 0.000 1.700e+04 c3h8+ch3co3<=>ic3h7+ch3co3h 2.000e+12 0.000 1.700e+04 c3h8+ch3co3<=>nc3h7+ch3co3h 1.700e+13 0.000 2.046e+04 c3h8+o2cho<=>nc3h7+ho2cho 5.520e+04 2.550 1.648e+04 c3h8+o2cho<=>ic3h7+ho2cho 1.475e+04 2.600 1.391e+04 h+c3h6<=>ic3h7 4.240e+11 0.51 1.230e+03 ic3h7+h<=>c2h5+ch3 2.000e+13 0.000 0.000e+00 ic3h7+o2<=>c3h6+ho2 4.500e-19 0.000 5.020e+03 ic3h7+oh<=>c3h6+h2o 2.410e+13 0.000 0.000e+00 ic3h7+o<=>ch3coch3+h 4.818e+13 0.000 0.000e+00 ic3h7+o<=>ch3cho+ch3 4.818e+13 0.000 0.000e+00 ch3+c2h4<=>nc3h7 1.760e+04 2.48 6.130e+03 h+c3h6<=>nc3h7 2.500e+11 0.51 2.620e+03 nc3h7+o2<=>c3h6+ho2 3.000e-19 0.000 3.000e+03 c2h5cho+nc3h7<=>c2h5co+c3h8 1.700e+12 0.000 8.440e+03 c2h5cho+ic3h7<=>c2h5co+c3h8 1.700e+12 0.000 8.440e+03 c2h5cho+c3h5-a<=>c2h5co+c3h6 1.700e+12 0.000 8.440e+03 c2h3+ch3(+m)<=>c3h6(+m) 2.500e+13 0.000 0.000e+00 low/ 4.2700e+58 -1.1940e+01 9.7698e+03/ troe/ 1.7500e-01 1.3406e+03 6.0000e+04 1.0140e+04/ c3h5-a+h(+m)<=>c3h6(+m) 2.00e+14 0.0 0.0 low/ 1.33e+60 -12.00 5967.8/ troe/ 0.020 1096.6 1096.6 6859.5/ h2/ 2/ h2o/ 6/ ch4/ 2/ co/ 1.5/ co2/ 2/ c2h6/ 3/ ar/ 0.7/ c3h6<=>c3h5-s+h 7.710e+69 -16.090 1.400e+05 c3h6<=>c3h5-t+h 5.620e+71 -16.580 1.393e+05 c3h6+o<=>c2h5+hco 1.580e+07 1.760 -1.216e+03 c3h6+o=>ch2co+ch3+h 2.500e+07 1.760 7.600e+01 c3h6+o=>ch3chco+h+h 2.500e+07 1.760 7.600e+01 c3h6+o<=>c3h5-a+oh 5.240e+11 0.700 5.884e+03 c3h6+o<=>c3h5-s+oh 1.200e+11 0.700 8.959e+03 c3h6+o<=>c3h5-t+oh 6.030e+10 0.700 7.632e+03 c3h6+oh<=>c3h5-a+h2o 1.97e+06 2.2 5.40e+02 c3h6+oh<=>c3h5-s+h2o 2.110e+06 2.000 2.778e+03 c3h6+oh<=>c3h5-t+h2o 1.110e+06 2.000 1.451e+03 c3h6+ho2<=>c3h5-a+h2o2 2.700e+04 2.500 1.234e+04 c3h6+ho2<=>c3h5-s+h2o2 1.800e+04 2.500 2.762e+04 c3h6+ho2<=>c3h5-t+h2o2 9.000e+03 2.500 2.359e+04 c3h6+h<=>c3h5-a+h2 1.730e+05 2.500 2.492e+03 c3h6+h<=>c3h5-s+h2 8.040e+05 2.500 1.228e+04 c3h6+h<=>c3h5-t+h2 4.050e+05 2.500 9.794e+03 c3h6+h<=>c2h4+ch3 8.80e+16 -1.05 6461.0 PLOG/ 0.1 8.80e+16 -1.05 6461.0/ PLOG/ 1.0 8.00e+21 -2.39 11180.0/ PLOG/ 10.0 3.30e+24 -3.04 15610.0/ c3h6+o2<=>c3h5-a+ho2 4.000e+12 0.000 3.990e+04 c3h6+o2<=>c3h5-s+ho2 2.000e+12 0.000 6.290e+04 c3h6+o2<=>c3h5-t+ho2 1.400e+12 0.000 6.070e+04 c3h6+ch3<=>c3h5-a+ch4 2.210e+00 3.500 5.675e+03 c3h6+ch3<=>c3h5-s+ch4 1.348e+00 3.500 1.285e+04 c3h6+ch3<=>c3h5-t+ch4 8.400e-01 3.500 1.166e+04 c3h6+c2h5<=>c3h5-a+c2h6 1.000e+11 0.000 9.800e+03 c3h6+ch3co3<=>c3h5-a+ch3co3h 3.240e+11 0.000 1.490e+04 c3h6+ch3o2<=>c3h5-a+ch3o2h 3.240e+11 0.000 1.490e+04 c3h6+ho2<=>c3h6o1-2+oh 1.290e+12 0.000 1.490e+04 c3h6+c2h5o2<=>c3h5-a+c2h5o2h 3.240e+11 0.000 1.490e+04 c3h6+nc3h7o2<=>c3h5-a+nc3h7o2h 3.240e+11 0.000 1.490e+04 c3h6+ic3h7o2<=>c3h5-a+ic3h7o2h 3.240e+11 0.000 1.490e+04 c3h6+oh<=>c3h6oh 9.930e+11 0.000 -9.600e+02 c3h6oh+o2<=>hoc3h6o2 1.200e+11 0.000 -1.100e+03 hoc3h6o2=>ch3cho+ch2o+oh 1.250e+10 0.000 1.890e+04 c2h2+ch3<=>c3h5-a 8.20e+53 -13.32 33200.0 PLOG/ 0.1 8.20e+53 -13.32 33200.0/ PLOG/ 1.0 2.68e+53 -12.82 35730.0/ PLOG/ 2.0 3.64e+52 -12.46 36127.0/ PLOG/ 5.0 1.04e+51 -11.89 36476.0/ PLOG/ 10.0 4.40e+49 -11.40 36700.0/ PLOG/ 100.0 3.80e+44 -9.63 37600.0/ c3h4-a+h<=>c3h5-a 9.60e+61 -14.67 26000.0 PLOG/ 0.1 9.60e+61 -14.67 26000.0/ PLOG/ 1.0 1.52e+59 -13.54 26949.0/ PLOG/ 2.0 3.78e+57 -12.98 26785.0/ PLOG/ 5.0 7.34e+54 -12.09 26187.0/ PLOG/ 10.0 2.40e+52 -11.30 25400.0/ PLOG/ 100.0 6.90e+41 -8.06 21300.0/ c3h5-a+ho2<=>c3h5o+oh 7.000e+12 0.000 -1.000e+03 c3h5-a+ch3o2<=>c3h5o+ch3o 7.000e+12 0.000 -1.000e+03 c3h5-a+h<=>c3h4-a+h2 1.232e+03 3.035 2.582e+03 c3h5-a+o<=>c2h3cho+h 6.00e+13 0.0 0.0 c3h5-a+oh=>c2h3cho+h+h 5.30e+37 -6.71 29306.0 PLOG/ 0.1 5.30e+37 -6.71 29306.0/ PLOG/ 1.0 4.20e+32 -5.16 30126.0/ PLOG/ 10.0 1.60e+20 -1.56 26330.0/ c3h5-a+oh<=>c3h4-a+h2o 6.00e+12 0.0 0.0 c3h5-a+ch3<=>c3h4-a+ch4 3.00e+12 -0.32 -131.0 c3h5-a+c2h5<=>c2h6+c3h4-a 4.000e+11 0.000 0.000e+00 c3h5-a+c2h5<=>c2h4+c3h6 4.000e+11 0.000 0.000e+00 c3h5-a+c2h3<=>c2h4+c3h4-a 1.000e+12 0.000 0.000e+00 c3h5-a+c3h5-a<=>c3h4-a+c3h6 8.430e+10 0.000 -2.620e+02 c3h5-a+o2<=>c3h4-a+ho2 4.99e+15 -1.40 22428.0 PLOG/ 1.0 4.99e+15 -1.40 22428.0/ PLOG/ 10.0 2.18e+21 -2.85 30755.0/ c3h5-a+o2<=>ch3co+ch2o 1.19e+15 -1.01 20128.0 PLOG/ 1.0 1.19e+15 -1.01 20128.0/ PLOG/ 10.0 7.14e+15 -1.21 21046.0/ c3h5-a+o2<=>c2h3cho+oh 1.82e+13 -0.41 22859.0 PLOG/ 1.0 1.82e+13 -0.41 22859.0/ PLOG/ 10.0 2.47e+13 -0.45 23017.0/ c3h5-a+hco<=>c3h6+co 6.00e+13 0.0 0.0 c2h3+ch3<=>c3h5-a+h 1.500e+24 -2.830 18618.0 c3h5-a<=>c3h5-t 3.90e+59 -15.42 75400.0 PLOG/ 0.1 3.90e+59 -15.42 75400.0/ PLOG/ 1.0 7.06e+56 -14.08 75868.0/ PLOG/ 2.0 4.80e+55 -13.59 75949.0/ PLOG/ 5.0 4.86e+53 -12.81 75883.0/ PLOG/ 10.0 6.40e+51 -12.12 75700.0/ PLOG/ 100.0 2.80e+43 -9.27 74000.0/ c3h5-a<=>c3h5-s 1.30e+55 -14.53 73800.0 PLOG/ 0.1 1.30e+55 -14.53 73800.0/ PLOG/ 1.0 5.00e+51 -13.02 73300.0/ PLOG/ 10.0 9.70e+48 -11.73 73700.0/ PLOG/ 100.0 4.86e+44 -9.84 73400.0/ c2h2+ch3<=>c3h5-s 1.40e+32 -7.14 10000.0 PLOG/ 0.1 1.40e+32 -7.14 10000.0/ PLOG/ 1.0 3.20e+35 -7.76 13300.0/ PLOG/ 10.0 2.40e+38 -8.21 17100.0/ PLOG/ 100.0 1.40e+39 -8.06 20200.0/ c3h5-s+o2<=>ch3cho+hco 1.00e+11 0.0 0.0 c3h5-s+h<=>c3h4-a+h2 3.333e+12 0.000 0.000e+00 c3h5-s+ch3<=>c3h4-a+ch4 1.000e+11 0.000 0.000e+00 c2h2+ch3<=>c3h5-t 6.80e+20 -4.16 18000.0 PLOG/ 0.1 6.80e+20 -4.16 18000.0/ PLOG/ 1.0 4.99e+22 -4.39 18850.0/ PLOG/ 2.0 6.00e+23 -4.60 19571.0/ PLOG/ 5.0 7.31e+25 -5.06 21150.0/ PLOG/ 10.0 9.30e+27 -5.55 22900.0/ PLOG/ 100.0 3.80e+36 -7.58 31300.0/ c3h4-a+h<=>c3h5-t 9.20e+38 -8.65 7000.0 PLOG/ 0.1 9.20e+38 -8.65 7000.0/ PLOG/ 1.0 9.46e+42 -9.43 11190.0/ PLOG/ 2.0 8.47e+43 -9.59 12462.0/ PLOG/ 5.0 6.98e+44 -9.70 14032.0/ PLOG/ 10.0 1.50e+45 -9.69 15100.0/ PLOG/ 100.0 1.80e+43 -8.78 16800.0/ c3h4-p+h<=>c3h5-t 4.60e+44 -10.21 10200.0 PLOG/ 0.1 4.60e+44 -10.21 10200.0/ PLOG/ 1.0 1.66e+47 -10.58 13690.0/ PLOG/ 2.0 5.04e+47 -10.61 14707.0/ PLOG/ 5.0 9.62e+47 -10.55 15910.0/ PLOG/ 10.0 7.00e+47 -10.40 16600.0/ PLOG/ 100.0 3.20e+44 -9.11 17400.0/ c3h5-s+h<=>c3h4-p+h2 3.34e+12 0.0 0.0 c3h5-s+o<=>c2h4+hco 6.00e+13 0.0 0.0 c3h5-s+oh=>c2h4+hco+h 5.00e+12 0.0 0.0 c3h5-s+ho2=>c2h4+hco+oh 2.00e+13 0.0 0.0 c3h5-s+hco<=>c3h6+co 9.00e+13 0.0 0.0 c3h5-s+ch3<=>c3h4-p+ch4 1.00e+11 0.0 0.0 c3h5-t<=>c3h5-s 1.60e+44 -12.16 52200.0 PLOG/ 0.1 1.60e+44 -12.16 52200.0/ PLOG/ 1.0 1.50e+48 -12.71 53900.0/ PLOG/ 10.0 5.10e+52 -13.37 57200.0/ PLOG/ 100.0 5.80e+51 -12.43 59200.0/ c3h4-a+h<=>c3h5-s 1.10e+30 -6.52 15200.0 PLOG/ 0.1 1.10e+30 -6.52 15200.0/ PLOG/ 1.0 5.40e+29 -6.09 16300.0/ PLOG/ 10.0 2.60e+31 -6.23 18700.0/ PLOG/ 100.0 3.20e+31 -5.88 21500.0/ c3h4-a+c3h4-a<=>c3h5-a+c3h3 5.0e+14 0.0 64746.7 c3h5-t+o2<=>c3h4-a+ho2 1.890e+30 -5.590 1.554e+04 c3h5-t+o2<=>ch3coch2+o 3.810e+17 -1.360 5.580e+03 c3h5-t+o2<=>ch3co+ch2o 1.00e+11 0.0 0.0 c3h5-t+h<=>c3h4-p+h2 3.34e+12 0.0 0.0 c3h5-t+ch3<=>c3h4-p+ch4 1.00e+11 0.0 0.0 c3h5-t+o<=>ch3+ch2co 6.00e+13 0.0 0.0 c3h5-t+oh=>ch3+ch2co+h 5.00e+12 0.0 0.0 c3h5-t+ho2=>ch3+ch2co+oh 2.00e+13 0.0 0.0 c3h5-t+hco<=>c3h6+co 9.00e+13 0.0 0.0 c3h4-p<=>c3h4-a 6.40e+61 -14.59 88200.0 PLOG/ 0.1 6.40e+61 -14.59 88200.0/ PLOG/ 0.4 5.81e+62 -14.63 91211.0/ PLOG/ 1.0 5.15e+60 -13.93 91117.0/ PLOG/ 2.0 7.64e+59 -13.59 91817.0/ PLOG/ 5.0 3.12e+58 -13.07 92680.0/ PLOG/ 10.0 1.90e+57 -12.62 93300.0/ PLOG/ 100.0 1.40e+52 -10.86 95400.0/ c3h3+ho2<=>c3h4-a+o2 3.00e+11 0.0 0.0 c3h4-a+ho2=>ch2co+ch2+oh 4.000e+12 0.000 1.900e+04 c3h4-a+oh<=>ch2co+ch3 3.120e+12 0.000 -3.970e+02 c3h4-a+oh<=>c3h3+h2o 5.30e+06 2.0 2000.0 c3h4-a+o<=>c2h4+co 2.00e+07 1.8 1000.0 c3h4-a+o<=>c2h2+ch2o 3.000e-03 4.610 -4.243e+03 c3h4-a+h<=>c3h3+h2 1.30e+06 2.0 5500.0 c3h4-a+ch3<=>c3h3+ch4 1.30e+12 0.0 7700.0 c3h4-a+c3h5-a<=>c3h3+c3h6 2.000e+11 0.000 7.700e+03 c3h4-a+c2h<=>c2h2+c3h3 1.00e+13 0.0 0.0 c3h4-p<=>cc3h4 3.40e+46 -10.97 68900.0 PLOG/ 0.1 3.40e+46 -10.97 68900.0/ PLOG/ 0.4 2.84e+45 -10.45 69284.0/ PLOG/ 1.0 1.20e+44 -9.92 69250.0/ PLOG/ 2.0 5.47e+42 -9.43 69089.0/ PLOG/ 5.0 3.92e+40 -8.69 68706.0/ PLOG/ 10.0 5.30e+38 -8.06 68300.0/ PLOG/ 100.0 2.80e+31 -5.69 66400.0/ c3h4-p+h<=>c3h4-a+h 2.30e+15 -0.26 7600.0 PLOG/ 0.1 2.30e+15 -0.26 7600.0/ PLOG/ 1.0 6.27e+17 -0.91 10079.0/ PLOG/ 2.0 1.50e+18 -1.00 10756.0/ PLOG/ 5.0 1.93e+18 -1.01 11523.0/ PLOG/ 10.0 3.10e+22 -2.18 14800.0/ PLOG/ 100.0 6.40e+27 -3.58 21200.0/ c3h4-p+h<=>c3h5-s 1.00e+25 -5.00 1800.0 PLOG/ 0.1 1.00e+25 -5.00 1800.0/ PLOG/ 1.0 5.50e+28 -5.74 4300.0/ PLOG/ 10.0 1.00e+34 -6.88 8900.0/ PLOG/ 100.0 9.70e+37 -7.63 13800.0/ c3h4-p+h<=>c3h5-a 1.10e+60 -14.56 28100.0 PLOG/ 0.1 1.10e+60 -14.56 28100.0/ PLOG/ 1.0 4.91e+60 -14.37 31644.0/ PLOG/ 2.0 3.04e+60 -14.19 32642.0/ PLOG/ 5.0 9.02e+59 -13.89 33953.0/ PLOG/ 10.0 2.20e+59 -13.61 34900.0/ PLOG/ 100.0 1.60e+55 -12.07 37500.0/ c3h4-p+h<=>c3h3+h2 1.30e+06 2.0 5500.0 c3h4-p+c3h3<=>c3h4-a+c3h3 6.14e+06 1.74 10450.0 c3h4-p+o<=>hcco+ch3 0.73e+13 0.0 2250.0 c3h4-p+o<=>c2h4+co 1.00e+13 0.0 2250.0 c3h4-p+oh<=>c3h3+h2o 1.00e+06 2.0 100.0 c3h4-p+c2h<=>c2h2+c3h3 1.00e+13 0.0 0.0 c3h4-p+ch3<=>c3h3+ch4 1.80e+12 0.0 7700.0 c2h2+ch3<=>c3h4-p+h 4.50e+06 1.86 11600.0 PLOG/ 0.1 4.50e+06 1.86 11600.0/ PLOG/ 1.0 2.56e+09 1.10 13644.0/ PLOG/ 2.0 2.07e+10 0.85 14415.0/ PLOG/ 5.0 2.51e+11 0.56 15453.0/ PLOG/ 10.0 1.10e+12 0.39 16200.0/ PLOG/ 100.0 2.10e+12 0.37 18100.0/ cc3h4<=>c3h4-a 2.30e+39 -8.81 47800.0 PLOG/ 0.1 2.30e+39 -8.81 47800.0/ PLOG/ 0.4 7.59e+40 -9.07 48831.0/ PLOG/ 1.0 4.89e+41 -9.17 49594.0/ PLOG/ 2.0 8.81e+41 -9.15 50073.0/ PLOG/ 5.0 4.33e+41 -8.93 50475.0/ PLOG/ 10.0 7.20e+40 -8.60 50600.0/ PLOG/ 100.0 1.60e+35 -6.64 49500.0/ c3h3+h<=>c3h4-p 1.500e+13 0.0 0.0 c3h3+h<=>c3h4-a 2.500e+12 0.0 0.0 c2h+ch3<=>c3h4-p 8.0e13 0.0 0.0 c3h3+ho2<=>c3h4-p+o2 2.50e+12 0.0 0.0 c3h4-p+ho2=>c2h4+co+oh 3.000e+12 0.000 1.900e+04 c3h4-p+oh<=>ch2co+ch3 5.000e-04 4.500 -1.000e+03 c3h4-p+o<=>c2h3+hco 3.200e+12 0.000 2.010e+03 c3h4-p+o<=>c3h3+oh 7.650e+08 1.500 8.600e+03 c3h4-p+c2h3<=>c3h3+c2h4 1.000e+12 0.000 7.700e+03 c3h4-p+c3h5-a<=>c3h3+c3h6 1.000e+12 0.000 7.700e+03 c3h3+o<=>ch2o+c2h 2.00e+13 0.0 0.0 c3h3+o2<=>ch2co+hco 3.00e+10 0.0 2868.0 c3h3+ho2=>oh+co+c2h3 8.00e+11 0.0 0.0 c3h3+hco<=>c3h4-a+co 2.50e+13 0.0 0.0 c3h3+hco<=>c3h4-p+co 2.50e+13 0.0 0.0 c2h5+c2h<=>c3h3+ch3 1.810e+13 0.000 0.000e+00 c3h4-a+ho2=>c2h4+co+oh 1.000e+12 0.000 1.400e+04 c3h4-a+ho2<=>c3h3+h2o2 3.000e+13 0.000 1.400e+04 c2h2+ch3<=>c3h4-a+h 2.40e+09 0.91 20700.0 PLOG/ 0.1 2.40e+09 0.91 20700.0/ PLOG/ 1.0 5.14e+09 0.86 22153.0/ PLOG/ 2.0 1.33e+10 0.75 22811.0/ PLOG/ 5.0 9.20e+10 0.54 23950.0/ PLOG/ 10.0 5.10e+11 0.35 25000.0/ PLOG/ 100.0 7.30e+12 0.11 28500.0/ ch3chco+oh<=>c2h5+co2 1.730e+12 0.000 -1.010e+03 ch3chco+oh<=>sc2h4oh+co 2.000e+12 0.000 -1.010e+03 ch3chco+h<=>c2h5+co 4.400e+12 0.000 1.459e+03 ch3chco+o<=>ch3cho+co 3.200e+12 0.000 -4.370e+02 nc3h7+ho2<=>nc3h7o+oh 7.000e+12 0.000 -1.000e+03 ic3h7+ho2<=>ic3h7o+oh 7.000e+12 0.000 -1.000e+03 ch3o2+nc3h7<=>ch3o+nc3h7o 7.000e+12 0.000 -1.000e+03 ch3o2+ic3h7<=>ch3o+ic3h7o 7.000e+12 0.000 -1.000e+03 nc3h7+o2<=>nc3h7o2 4.520e+12 0.000 0.000e+00 ic3h7+o2<=>ic3h7o2 7.540e+12 0.000 0.000e+00 nc3h7o2+ch2o<=>nc3h7o2h+hco 5.600e+12 0.000 1.360e+04 nc3h7o2+ch3cho<=>nc3h7o2h+ch3co 2.800e+12 0.000 1.360e+04 ic3h7o2+ch2o<=>ic3h7o2h+hco 5.600e+12 0.000 1.360e+04 ic3h7o2+ch3cho<=>ic3h7o2h+ch3co 2.800e+12 0.000 1.360e+04 nc3h7o2+ho2<=>nc3h7o2h+o2 1.750e+10 0.000 -3.275e+03 ic3h7o2+ho2<=>ic3h7o2h+o2 1.750e+10 0.000 -3.275e+03 c2h4+nc3h7o2<=>c2h3+nc3h7o2h 1.130e+13 0.000 3.043e+04 c2h4+ic3h7o2<=>c2h3+ic3h7o2h 1.130e+13 0.000 3.043e+04 ch3oh+nc3h7o2<=>ch2oh+nc3h7o2h 6.300e+12 0.000 1.936e+04 ch3oh+ic3h7o2<=>ch2oh+ic3h7o2h 6.300e+12 0.000 1.936e+04 c2h3cho+nc3h7o2<=>c2h3co+nc3h7o2h 2.800e+12 0.000 1.360e+04 c2h3cho+ic3h7o2<=>c2h3co+ic3h7o2h 2.800e+12 0.000 1.360e+04 ch4+nc3h7o2<=>ch3+nc3h7o2h 1.120e+13 0.000 2.464e+04 ch4+ic3h7o2<=>ch3+ic3h7o2h 1.120e+13 0.000 2.464e+04 nc3h7o2+ch3o2=>nc3h7o+ch3o+o2 1.400e+16 -1.610 1.860e+03 ic3h7o2+ch3o2=>ic3h7o+ch3o+o2 1.400e+16 -1.610 1.860e+03 h2+nc3h7o2<=>h+nc3h7o2h 3.010e+13 0.000 2.603e+04 h2+ic3h7o2<=>h+ic3h7o2h 3.010e+13 0.000 2.603e+04 ic3h7o2+c2h6<=>ic3h7o2h+c2h5 1.700e+13 0.000 2.046e+04 nc3h7o2+c2h6<=>nc3h7o2h+c2h5 1.700e+13 0.000 2.046e+04 ic3h7o2+c2h5cho<=>ic3h7o2h+c2h5co 2.000e+11 0.000 9.500e+03 nc3h7o2+c2h5cho<=>nc3h7o2h+c2h5co 2.000e+11 0.000 9.500e+03 ic3h7o2+ch3co3=>ic3h7o+ch3co2+o2 1.400e+16 -1.610 1.860e+03 nc3h7o2+ch3co3=>nc3h7o+ch3co2+o2 1.400e+16 -1.610 1.860e+03 ic3h7o2+c2h5o2=>ic3h7o+c2h5o+o2 1.400e+16 -1.610 1.860e+03 nc3h7o2+c2h5o2=>nc3h7o+c2h5o+o2 1.400e+16 -1.610 1.860e+03 ic3h7o2+ic3h7o2=>o2+ic3h7o+ic3h7o 1.400e+16 -1.610 1.860e+03 nc3h7o2+nc3h7o2=>o2+nc3h7o+nc3h7o 1.400e+16 -1.610 1.860e+03 ic3h7o2+nc3h7o2=>ic3h7o+nc3h7o+o2 1.400e+16 -1.610 1.860e+03 ic3h7o2+ch3<=>ic3h7o+ch3o 7.000e+12 0.000 -1.000e+03 ic3h7o2+c2h5<=>ic3h7o+c2h5o 7.000e+12 0.000 -1.000e+03 ic3h7o2+ic3h7<=>ic3h7o+ic3h7o 7.000e+12 0.000 -1.000e+03 ic3h7o2+nc3h7<=>ic3h7o+nc3h7o 7.000e+12 0.000 -1.000e+03 ic3h7o2+c3h5-a<=>ic3h7o+c3h5o 7.000e+12 0.000 -1.000e+03 nc3h7o2+ch3<=>nc3h7o+ch3o 7.000e+12 0.000 -1.000e+03 nc3h7o2+c2h5<=>nc3h7o+c2h5o 7.000e+12 0.000 -1.000e+03 nc3h7o2+ic3h7<=>nc3h7o+ic3h7o 7.000e+12 0.000 -1.000e+03 nc3h7o2+nc3h7<=>nc3h7o+nc3h7o 7.000e+12 0.000 -1.000e+03 nc3h7o2+c3h5-a<=>nc3h7o+c3h5o 7.000e+12 0.000 -1.000e+03 nc3h7o2h<=>nc3h7o+oh 1.500e+16 0.000 4.250e+04 ic3h7o+oh<=>ic3h7o2h 1.0e15 -0.8 0.0 c2h5+ch2o<=>nc3h7o 1.000e+11 0.000 3.496e+03 c2h5cho+h<=>nc3h7o 4.000e+12 0.000 6.260e+03 ch3+ch3cho<=>ic3h7o 1.000e+11 0.000 9.256e+03 ch3coch3+h<=>ic3h7o 2.000e+12 0.000 7.270e+03 ic3h7o+o2<=>ch3coch3+ho2 9.090e+09 0.000 3.900e+02 nc3h7o2<=>c3h6ooh1-2 6.000e+11 0.000 2.685e+04 nc3h7o2<=>c3h6ooh1-3 1.125e+11 0.000 2.440e+04 ic3h7o2<=>c3h6ooh2-1 1.800e+12 0.000 2.940e+04 ic3h7o2<=>c3h6ooh2-2 1.230e+35 -6.960 4.888e+04 c3h6ooh1-2<=>c3h6o1-2+oh 6.000e+11 0.000 2.200e+04 c3h6ooh1-3<=>c3h6o1-3+oh 7.500e+10 0.000 1.525e+04 c3h6ooh2-1<=>c3h6o1-2+oh 6.000e+11 0.000 2.200e+04 c3h6+ho2<=>c3h6ooh1-2 1.000e+11 0.000 1.100e+04 c3h6+ho2<=>c3h6ooh2-1 1.000e+11 0.000 1.175e+04 c3h6ooh1-3=>oh+ch2o+c2h4 3.035e+15 -0.790 2.740e+04 c3h6ooh2-1<=>c2h3ooh+ch3 6.540e+27 -5.140 3.832e+04 c3h6ooh1-2=>c2h4+ch2o+oh 1.310e+33 -7.010 4.812e+04 c3h6ooh2-2<=>ch3coch3+oh 9.000e+14 0.000 1.500e+03 c3h6ooh1-2+o2<=>c3h6ooh1-2o2 5.000e+12 0.000 0.000e+00 c3h6ooh1-3+o2<=>c3h6ooh1-3o2 4.520e+12 0.000 0.000e+00 c3h6ooh2-1+o2<=>c3h6ooh2-1o2 4.520e+12 0.000 0.000e+00 c3h6ooh1-2o2<=>c3ket12+oh 6.000e+11 0.000 2.640e+04 c3h6ooh1-3o2<=>c3ket13+oh 7.500e+10 0.000 2.140e+04 c3h6ooh2-1o2<=>c3ket21+oh 3.000e+11 0.000 2.385e+04 c3h6ooh2-1o2<=>c3h51-2,3ooh 1.125e+11 0.000 2.440e+04 c3h6ooh1-2o2<=>c3h51-2,3ooh 9.000e+11 0.000 2.940e+04 c3h51-2,3ooh<=>ac3h5ooh+ho2 2.560e+13 -0.490 1.777e+04 c3h6ooh1-3o2<=>c3h52-1,3ooh 6.000e+11 0.000 2.685e+04 c3h52-1,3ooh<=>ac3h5ooh+ho2 1.150e+14 -0.630 1.725e+04 c3ket12=>ch3cho+hco+oh 9.450e+15 0.000 4.300e+04 c3ket13=>ch2o+ch2cho+oh 1.000e+16 0.000 4.300e+04 c3ket21=>ch2o+ch3co+oh 1.000e+16 0.000 4.300e+04 c3h5o+oh<=>ac3h5ooh 2.000e+13 0.000 0.000e+00 c3h5o<=>c2h3cho+h 1.000e+14 0.000 2.910e+04 c2h3+ch2o<=>c3h5o 1.500e+11 0.000 1.060e+04 c3h5o+o2<=>c2h3cho+ho2 1.000e+12 0.000 6.000e+03 c2h3ooh<=>ch2cho+oh 8.400e+14 0.000 4.300e+04 c3h6o1-2<=>c2h4+ch2o 6.000e+14 0.000 6.000e+04 c3h6o1-2+oh=>ch2o+c2h3+h2o 5.000e+12 0.000 0.000e+00 c3h6o1-2+h=>ch2o+c2h3+h2 2.630e+07 2.000 5.000e+03 c3h6o1-2+o=>ch2o+c2h3+oh 8.430e+13 0.000 5.200e+03 c3h6o1-2+ho2=>ch2o+c2h3+h2o2 1.000e+13 0.000 1.500e+04 c3h6o1-2+ch3o2=>ch2o+c2h3+ch3o2h 1.000e+13 0.000 1.900e+04 c3h6o1-2+ch3=>ch2o+c2h3+ch4 2.000e+11 0.000 1.000e+04 c3h6o1-3<=>c2h4+ch2o 6.000e+14 0.000 6.000e+04 c3h6o1-3+oh=>ch2o+c2h3+h2o 5.000e+12 0.000 0.000e+00 c3h6o1-3+o=>ch2o+c2h3+oh 8.430e+13 0.000 5.200e+03 c3h6o1-3+h=>ch2o+c2h3+h2 2.630e+07 2.000 5.000e+03 c3h6o1-3+ch3o2=>ch2o+c2h3+ch3o2h 1.000e+13 0.000 1.900e+04 c3h6o1-3+ho2=>ch2o+c2h3+h2o2 1.000e+13 0.000 1.500e+04 c3h6o1-3+ch3=>ch2o+c2h3+ch4 2.000e+11 0.000 1.000e+04 ic3h7o2<=>c3h6+ho2 1.196e+43 -9.430 4.153e+04 nc3h7o2<=>c3h6+ho2 4.308e+36 -7.500 3.951e+04 c4h10(+m)<=>c2h5+c2h5(+m) 1.3554e+037 -6.036 9.2929e+04 low/ 4.7200e+018 0.000 4.9578e+04/ troe/ 7.9982e-02 1.0000e-20 3.2428e+04 4.8582e+03/ c4h10(+m)<=>nc3h7+ch3(+m) 6.5998e+052 -10.626 1.0033e+05 low/ 5.3400e+017 0.000 4.2959e+04/ troe/ 9.5015e-02 1.0000e-20 5.3476e+03 4.3256e+03/ pc4h9+h<=>c4h10 3.610e+13 0.000 0.000e+00 sc4h9+h<=>c4h10 3.610e+13 0.000 0.000e+00 c4h10+o2<=>pc4h9+ho2 6.000e+13 0.000 5.234e+04 c4h10+o2<=>sc4h9+ho2 4.000e+13 0.000 4.980e+04 c4h10+c3h5-a<=>pc4h9+c3h6 7.940e+11 0.000 2.050e+04 c4h10+c3h5-a<=>sc4h9+c3h6 3.160e+11 0.000 1.640e+04 c4h10+c2h5<=>pc4h9+c2h6 1.580e+11 0.000 1.230e+04 c4h10+c2h5<=>sc4h9+c2h6 1.000e+11 0.000 1.040e+04 c4h10+c2h3<=>pc4h9+c2h4 1.000e+12 0.000 1.800e+04 c4h10+c2h3<=>sc4h9+c2h4 8.000e+11 0.000 1.680e+04 c4h10+ch3<=>pc4h9+ch4 9.040e-01 3.650 7.154e+03 c4h10+ch3<=>sc4h9+ch4 3.020e+00 3.460 5.481e+03 c4h10+h<=>pc4h9+h2 3.490e+05 2.690 6.450e+03 c4h10+h<=>sc4h9+h2 2.600e+06 2.400 4.471e+03 c4h10+oh<=>pc4h9+h2o 1.054e+10 0.970 1.586e+03 c4h10+oh<=>sc4h9+h2o 9.340e+07 1.610 -3.500e+01 c4h10+o<=>pc4h9+oh 1.130e+14 0.000 7.850e+03 c4h10+o<=>sc4h9+oh 5.620e+13 0.000 5.200e+03 c4h10+ho2<=>pc4h9+h2o2 4.080e+01 3.590 1.716e+04 c4h10+ho2<=>sc4h9+h2o2 1.264e+02 3.370 1.372e+04 c4h10+ch3o<=>pc4h9+ch3oh 3.000e+11 0.000 7.000e+03 c4h10+ch3o<=>sc4h9+ch3oh 6.000e+11 0.000 7.000e+03 c4h10+c2h5o<=>pc4h9+c2h5oh 3.000e+11 0.000 7.000e+03 c4h10+c2h5o<=>sc4h9+c2h5oh 6.000e+11 0.000 7.000e+03 c4h10+pc4h9<=>sc4h9+c4h10 1.000e+11 0.000 1.040e+04 c4h10+ch3co3<=>pc4h9+ch3co3h 1.700e+13 0.000 2.046e+04 c4h10+ch3co3<=>sc4h9+ch3co3h 1.120e+13 0.000 1.770e+04 c4h10+o2cho<=>pc4h9+ho2cho 1.680e+13 0.000 2.044e+04 c4h10+o2cho<=>sc4h9+ho2cho 1.120e+13 0.000 1.769e+04 ch3o2+c4h10<=>ch3o2h+pc4h9 1.386e+00 3.970 1.828e+04 ch3o2+c4h10<=>ch3o2h+sc4h9 2.037e+01 3.580 1.481e+04 c2h5o2+c4h10<=>c2h5o2h+pc4h9 4.080e+01 3.590 1.716e+04 c2h5o2+c4h10<=>c2h5o2h+sc4h9 1.264e+02 3.370 1.372e+04 nc3h7o2+c4h10<=>nc3h7o2h+pc4h9 1.700e+13 0.000 2.046e+04 nc3h7o2+c4h10<=>nc3h7o2h+sc4h9 1.120e+13 0.000 1.770e+04 ic3h7o2+c4h10<=>ic3h7o2h+pc4h9 1.700e+13 0.000 2.046e+04 ic3h7o2+c4h10<=>ic3h7o2h+sc4h9 1.120e+13 0.000 1.770e+04 pc4h9o2+c3h8<=>pc4h9o2h+nc3h7 1.700e+13 0.000 2.046e+04 pc4h9o2+c3h8<=>pc4h9o2h+ic3h7 2.000e+12 0.000 1.700e+04 pc4h9o2+c4h10<=>pc4h9o2h+pc4h9 1.700e+13 0.000 2.046e+04 pc4h9o2+c4h10<=>pc4h9o2h+sc4h9 1.120e+13 0.000 1.770e+04 sc4h9o2+c3h8<=>sc4h9o2h+nc3h7 1.700e+13 0.000 2.046e+04 sc4h9o2+c3h8<=>sc4h9o2h+ic3h7 2.000e+12 0.000 1.700e+04 sc4h9o2+c4h10<=>sc4h9o2h+pc4h9 1.700e+13 0.000 2.046e+04 sc4h9o2+c4h10<=>sc4h9o2h+sc4h9 1.120e+13 0.000 1.770e+04 pc4h9<=>sc4h9 3.560e+10 0.880 3.730e+04 dup pc4h9<=>sc4h9 3.800e+10 0.670 3.660e+04 dup c2h5+c2h4<=>pc4h9 1.320e+04 2.480 6.130e+03 c3h6+ch3<=>sc4h9 1.760e+04 2.480 6.130e+03 c4h8-1+h<=>pc4h9 2.500e+11 0.510 2.620e+03 c4h8-2+h<=>sc4h9 2.500e+11 0.51 2.620e+03 c4h8-1+h<=>sc4h9 4.240e+11 0.51 1.230e+03 pc4h9+o2<=>c4h8-1+ho2 8.370e-01 3.590 1.196e+04 sc4h9+o2<=>c4h8-1+ho2 5.350e-01 3.710 9.322e+03 sc4h9+o2<=>c4h8-2+ho2 1.07 3.71 9.322e+03 c2h3+c2h5<=>c4h8-1 9.000e+12 0.000 0.000e+00 c3h5-a+ch3(+m)<=>c4h8-1(+m) 1.00e+14 -0.32 -262.3 low/ 3.91e+60 -12.81 6250.0/ troe/ 0.104 1606.0 60000.0 6118.4/ h2/ 2/ h2o/ 6/ ch4/ 2/ co/ 1.5/ co2/ 2/ c2h6/ 3/ ar/ 0.7/ h+c4h71-3<=>c4h8-1 5.000e+13 0.000 0.000e+00 c4h8-1+o2<=>c4h71-3+ho2 2.000e+13 0.000 3.719e+04 c4h8-1+o<=>c4h71-3+oh 1.750e+11 0.700 5.884e+03 c4h8-2+o<=>c4h71-3+oh 2.190e+11 0.810 7.550e+03 c4h8-1+h<=>c4h71-3+h2 1.730e+05 2.500 2.492e+03 c4h8-1+h<=>c4h71-4+h2 6.651e+05 2.540 6.756e+03 c4h8-1+oh<=>c4h71-1+h2o 9.000e+05 2.000 2.500e+03 c4h8-1+oh<=>c4h71-2+h2o 2.220e+06 2.000 1.451e+03 c4h8-1+oh<=>c4h71-3+h2o 3.120e+06 2.000 -2.980e+02 c4h8-1+oh<=>c4h71-4+h2o 5.270e+09 0.970 1.586e+03 c4h8-1+ch3<=>c4h71-3+ch4 2.210e+00 3.500 5.675e+03 c4h8-1+ch3<=>c4h71-4+ch4 4.520e-01 3.650 7.154e+03 c4h8-1+ho2<=>c4h71-3+h2o2 2.700e+04 0.700 5.884e+03 c4h8-1+ho2<=>c4h71-4+h2o2 2.380e+03 2.550 1.649e+04 c4h8-1+ch3o2<=>c4h71-3+ch3o2h 2.700e+04 0.700 5.884e+03 c4h8-1+ch3o2<=>c4h71-4+ch3o2h 2.380e+03 2.550 1.649e+04 c4h8-1+ch3o<=>c4h71-3+ch3oh 4.000e+01 2.900 8.609e+03 c4h8-1+ch3o<=>c4h71-4+ch3oh 2.170e+11 0.000 6.458e+03 c4h8-1+ch3co3<=>c4h71-3+ch3co3h 1.000e+11 0.000 8.000e+03 c4h8-1+c3h5-a<=>c4h71-3+c3h6 7.900e+10 0.000 1.240e+04 c4h71-3+c4h71-3<=>c4h8-1+c4h6 1.600e+12 0.000 0.000e+00 c4h8-1+c2h5o2<=>c4h71-3+c2h5o2h 1.400e+12 0.000 1.490e+04 c4h8-1+nc3h7o2<=>c4h71-3+nc3h7o2h 1.400e+12 0.000 1.490e+04 c4h8-1+ic3h7o2<=>c4h71-3+ic3h7o2h 1.400e+12 0.000 1.490e+04 c4h8-1+pc4h9o2<=>c4h71-3+pc4h9o2h 1.400e+12 0.000 1.490e+04 c4h8-1+sc4h9o2<=>c4h71-3+sc4h9o2h 1.400e+12 0.000 1.490e+04 c4h8-1+ch3o2<=>c4h8o1-2+ch3o 1.000e+12 0.000 1.434e+04 h+c4h71-3<=>c4h8-2 5.000e+13 0.00 0.000e+00 c4h8-2+o2<=>c4h71-3+ho2 4.000e+13 0.000 3.939e+04 c4h8-2+h<=>c4h71-3+h2 4.440e+04 2.810 4.414e+03 c4h8-2+oh<=>c4h71-3+h2o 5.100e+08 1.400 1.250e+03 c4h8-2+ch3<=>c4h71-3+ch4 7.140e+00 3.570 7.642e+03 c4h8-2+ho2<=>c4h71-3+h2o2 5.940e+04 2.570 1.614e+04 c4h8-2+ch3o2<=>c4h71-3+ch3o2h 5.940e+04 2.570 1.614e+04 c4h8-2+ch3o<=>c4h71-3+ch3oh 1.800e+01 2.950 1.199e+04 c4h8-2+c2h5o2<=>c4h71-3+c2h5o2h 3.200e+12 0.000 1.490e+04 c4h8-2+nc3h7o2<=>c4h71-3+nc3h7o2h 3.200e+12 0.000 1.490e+04 c4h8-2+ic3h7o2<=>c4h71-3+ic3h7o2h 3.200e+12 0.000 1.490e+04 c4h8-2+pc4h9o2<=>c4h71-3+pc4h9o2h 3.200e+12 0.000 1.490e+04 c4h8-2+sc4h9o2<=>c4h71-3+sc4h9o2h 3.200e+12 0.000 1.490e+04 c4h8-1+ho2<=>c4h8o1-2+oh 1.000e+12 0.000 1.434e+04 c4h8-2+ho2<=>c4h8o2-3+oh 5.620e+11 0.000 1.231e+04 c4h8-2+ch3o2<=>c4h8o2-3+ch3o 5.620e+11 0.000 1.231e+04 !c4h8-1+oh<=>pc4h8oh 4.750e+12 0.000 -7.820e+02 !mani removed since in butanol submech !c4h8-2+oh<=>sc4h8oh 4.750e+12 0.000 -7.820e+02 !mani removed since in butanol submech !pc4h8oh+o2<=>c4h8oh-1o2 2.000e+12 0.000 0.000e+00 !mani removed since in butanol submech !sc4h8oh+o2<=>c4h8oh-2o2 2.000e+12 0.000 0.000e+00 !mani removed since in butanol submech !c4h8oh-1o2=>c2h5cho+ch2o+oh 1.000e+16 0.000 2.500e+04 !mani removed since in butanol submech !c4h8oh-2o2=>oh+ch3cho+ch3cho 1.000e+16 0.000 2.500e+04 !mani removed since in butanol submech c2h2+c2h5<=>c4h71-1 2.000e+11 0.00 7.800e+03 c3h4-a+ch3<=>c4h71-2 2.000e+11 0.00 7.800e+03 c2h4+c2h3<=>c4h71-4 2.000e+11 0.00 7.800e+03 c3h4-p+ch3<=>c4h72-2 1.0e+11 0.0 7800.0 c4h6+h<=>c4h71-3 4.000e+13 0.000 1.300e+03 c4h71-3+c2h5<=>c4h8-1+c2h4 2.590e+12 0.000 -1.310e+02 c4h71-3+ch3o<=>c4h8-1+ch2o 2.410e+13 0.000 0.000e+00 c4h71-3+o<=>c2h3cho+ch3 6.030e+13 0.000 0.000e+00 c4h71-3+ho2<=>c4h7o+oh 9.640e+12 0.000 0.000e+00 c4h71-3+ch3o2<=>c4h7o+ch3o 9.640e+12 0.000 0.000e+00 c3h5-a+c4h71-3<=>c3h6+c4h6 6.310e+12 0.000 0.000e+00 c4h71-3+o2<=>c4h6+ho2 1.000e+09 0.000 0.000e+00 h+c4h71-3<=>c4h6+h2 3.160e+13 0.000 0.000e+00 c2h5+c4h71-3<=>c4h6+c2h6 3.980e+12 0.000 0.000e+00 c2h3+c4h71-3<=>c2h4+c4h6 3.980e+12 0.000 0.000e+00 c4h71-3+c2h5o2<=>c4h7o+c2h5o 3.800e+12 0.000 -1.200e+03 ic3h7o2+c4h71-3<=>ic3h7o+c4h7o 3.800e+12 0.000 -1.200e+03 nc3h7o2+c4h71-3<=>nc3h7o+c4h7o 3.800e+12 0.000 -1.200e+03 c4h7o<=>ch3cho+c2h3 7.940e+14 0.000 1.900e+04 c4h7o<=>c2h3cho+ch3 7.940e+14 0.000 1.900e+04 c4h6<=>c4h5-i+h 5.70e+36 -6.27 112353. c4h6<=>c4h5-n+h 5.30e+44 -8.62 123608. c4h6<=>c4h4+h2 2.50e+15 0.0 94700.0 c4h6+h<=>c4h5-n+h2 1.33e+06 2.53 12240.0 c4h6+h<=>c4h5-i+h2 6.65e+05 2.53 9240.0 c4h6+h<=>c2h4+c2h3 1.46e+30 -4.34 21647.0 PLOG/ 1.0 1.46e+30 -4.34 21647.0/ PLOG/ 10.0 5.45e+30 -4.51 21877.0/ c4h6+h<=>c3h4-p+ch3 2.00e+12 0.0 7000.0 c4h6+h<=>c3h4-a+ch3 2.00e+12 0.0 7000.0 c4h6+o<=>c4h5-n+oh 0.75e+07 1.900 3740.0 c4h6+o<=>c4h5-i+oh 0.75e+07 1.900 3740.0 c4h6+o<=>c2h2+c2h4o1-2 1.0e+08 1.45 -860.0 c4h6+o<=>ch3chchco+h 0.5e+08 1.45 -860.0 c4h6+o<=>ch2chchcho+h 4.5e+08 1.45 -860.0 c4h6+oh<=>c4h5-n+h2o 6.20e+06 2.0 3430.0 c4h6+oh<=>c4h5-i+h2o 3.10e+06 2.0 430.0 c4h6+ho2<=>c4h6o25+oh 1.20e+12 0.0 14000.0 c4h6+ho2<=>c2h3choch2+oh 4.80e+12 0.0 14000.0 c4h6+ch3<=>c4h5-n+ch4 2.00e+14 0.0 22800.0 c4h6+ch3<=>c4h5-i+ch4 1.00e+14 0.0 19800.0 c4h6+c2h3<=>c4h5-n+c2h4 5.00e+13 0.0 22800.0 c4h6+c2h3<=>c4h5-i+c2h4 2.50e+13 0.0 19800.0 c4h6+c3h3<=>c4h5-n+c3h4-a 1.00e+13 0.0 22500.0 c4h6+c3h3<=>c4h5-i+c3h4-a 0.50e+13 0.0 19500.0 c4h6+c3h5-a<=>c4h5-n+c3h6 1.00e+13 0.0 22500.0 c4h6+c3h5-a<=>c4h5-i+c3h6 0.50e+13 0.0 19500.0 c4h71-4<=>c4h6+h 2.48e+53 -12.30 52000.0 PLOG/ 1.0 2.48e+53 -12.30 52000.0/ PLOG/ 10.0 1.85e+48 -10.50 51770.0/ c2h3+c2h2<=>c4h4+h 7.20e+13 -0.48 6100. PLOG/ 1.32e-2 7.20e+13 -0.48 6100./ PLOG/ 2.63e-2 5.00e+14 -0.71 6700./ PLOG/ 0.12 4.60e+16 -1.25 8400./ PLOG/ 1.0 2.00e+18 -1.68 10600./ PLOG/ 10.0 4.90e+16 -1.13 11800./ c2h3+c2h2<=>c4h5-n 1.10e+31 -7.14 5600. PLOG/ 1.32e-2 1.10e+31 -7.14 5600./ PLOG/ 2.63e-2 1.10e+32 -7.33 6200./ PLOG/ 0.12 2.40e+31 -6.95 5600./ PLOG/ 1.0 9.30e+38 -8.76 12000./ PLOG/ 10.0 8.10e+37 -8.09 13400./ c2h3+c2h2<=>c4h5-i 5.00e+34 -8.42 7900. PLOG/ 1.32e-2 5.00e+34 -8.42 7900./ PLOG/ 2.63e-2 2.10e+36 -8.78 9100./ PLOG/ 0.12 1.00e+37 -8.77 9800./ PLOG/ 1.0 1.60e+46 -10.98 18600./ PLOG/ 10.0 5.10e+53 -12.64 28800./ c2h3+c2h3<=>c4h6 7.00e+57 -13.82 17629. PLOG/ 2.63e-2 7.00e+57 -13.82 17629./ PLOG/ 0.12 1.50e+52 -11.97 16056./ PLOG/ 1.0 1.50e+42 -8.84 12483./ c2h3+c2h3<=>c4h5-i+h 1.50e+30 -4.95 12958. PLOG/ 2.63e-2 1.50e+30 -4.95 12958./ PLOG/ 0.12 7.20e+28 -4.49 14273./ PLOG/ 1.0 1.20e+22 -2.44 13654./ c2h3+c2h3<=>c4h5-n+h 1.10e+24 -3.28 12395. PLOG/ 2.63e-2 1.10e+24 -3.28 12395./ PLOG/ 0.12 4.60e+24 -3.38 14650./ PLOG/ 1.0 2.40e+20 -2.04 15361./ c4h5-n<=>c4h5-i 2.40e+60 -16.08 47500. PLOG/ 1.32e-2 2.40e+60 -16.08 47500./ PLOG/ 2.63e-2 1.30e+62 -16.38 49600./ PLOG/ 0.12 4.90e+66 -17.26 55400./ PLOG/ 1.0 1.50e+67 -16.89 59100./ PLOG/ 10.0 2.00e+60 -14.46 58600./ c4h5-n+h<=>c4h5-i+h 3.1e+26 -3.35 17423. c4h5-n+h<=>c4h4+h2 1.5e+13 0.00 0. c4h5-n+oh<=>c4h4+h2o 2.0e+12 0.00 0. c4h5-n+hco<=>c4h6+co 5.00e+12 0.0 0. c4h5-n+ho2=>c2h3+ch2co+oh 6.60e+12 0.0 0. c4h5-n+h2o2<=>c4h6+ho2 1.21e+10 0.0 -596. c4h5-n+ho2<=>c4h6+o2 6.00e+11 0.0 0. c4h5-n+o2<=>ch2chchcho+o 3.00e+11 0.29 11. c4h5-n+o2<=>hco+c2h3cho 9.20e+16 -1.39 1010. c4h5-i+h<=>c4h4+h2 3.0e+13 0.00 0. c4h5-i+h<=>c3h3+ch3 2.00e+13 0.0 2000.0 c4h5-i+oh<=>c4h4+h2o 4.0e+12 0.00 0. c4h5-i+hco<=>c4h6+co 5.00e+12 0.0 0. c4h5-i+ho2<=>c4h6+o2 6.000e+11 0.00 0. c4h5-i+ho2=>c2h3+ch2co+oh 6.60e+12 0.0 0. c4h5-i+h2o2<=>c4h6+ho2 1.21e+10 0.000 -596. c4h5-i+o2<=>ch2co+ch2cho 2.16e+10 0.00 2500. c4h5-2<=>c4h5-i 1.5e+67 -16.89 59100. c4h5-2+h<=>c4h5-i+h 3.1e+26 -3.35 17423. c4h5-2+ho2=>oh+c2h2+ch3co 8.00e+11 0.0 0. c4h5-2+o2<=>ch3co+ch2co 2.16e+10 0.00 2500. c4h612<=>c4h5-i+h 4.20e+15 0.0 92600.0 c4h612+h<=>c4h6+h 2.00e+13 0.0 4000.0 c4h612+h<=>c4h5-i+h2 1.70e+05 2.5 2490.0 c4h612+h<=>c3h4-a+ch3 2.00e+13 0.0 2000.0 c4h612+h<=>c3h4-p+ch3 2.00e+13 0.0 2000.0 c4h612+ch3<=>c4h5-i+ch4 7.00e+13 0.0 18500.0 c4h612+o<=>ch2co+c2h4 1.20e+08 1.65 327.0 c4h612+o<=>c4h5-i+oh 1.80e+11 0.70 5880.0 c4h612+oh<=>c4h5-i+h2o 3.10e+06 2.00 -298.0 c4h612<=>c4h6 3.00e+13 0.0 65000.0 c4h6-2<=>c4h6 3.00e+13 0.00 65000.00 c4h6-2<=>c4h612 3.00e+13 0.00 67000.00 c4h6-2+h<=>c4h612+h 2.00e+13 0.0 4000.0 c4h6-2+h<=>c4h5-2+h2 3.40e+05 2.5 2490.0 c4h6-2+h<=>ch3+c3h4-p 2.60e+5 2.500 1000.00 c4h6-2<=>h+c4h5-2 5.00e+15 0.00 87300.00 c4h6-2+ch3<=>c4h5-2+ch4 1.40e+14 0.0 18500.0 c2h3choch2<=>c4h6o23 2.00e+14 0.0 50600.00 c4h6o23<=>ch3chchcho 1.95e+13 0.0 49400.00 c4h6o23<=>c2h4+ch2co 5.75e+15 0.0 69300.00 c4h6o23<=>c2h2+c2h4o1-2 1.00e+16 0.0 75800.00 c4h6o25<=>c4h4o+h2 5.30e+12 0.0 48500.00 c4h4o<=>co+c3h4-p 1.78e+15 0.0 77500.00 c4h4o<=>c2h2+ch2co 5.01e+14 0.0 77500.00 ch3chchcho<=>c3h6+co 3.90e+14 0.0 69000.0 ch3chchcho+h<=>ch2chchcho+h2 1.70e+5 2.5 2490.00 ch3chchcho+h<=>ch3chchco+h2 1.00e+5 2.5 2490.00 ch3chchcho+h<=>ch3+c2h3cho 4.00e+21 -2.390 11180.00 ch3chchcho+h<=>c3h6+hco 4.00e+21 -2.390 11180.00 ch3chchcho+ch3<=>ch2chchcho+ch4 2.10e+00 3.50 5675.0 ch3chchcho+ch3<=>ch3chchco+ch4 1.10e+00 3.50 5675.0 ch3chchcho+c2h3<=>ch2chchcho+c2h4 2.210e+00 3.50 4682.00 ch3chchcho+c2h3<=>ch3chchco+c2h4 1.110e+00 3.50 4682.00 ch3chchco<=>c3h5-s+co 1.00e14 0.0 30000.00 ch3chchco+h<=>ch3chchcho 1.00e+14 0.0 00.0 ch2chchcho<=>c3h5-a+co 1.00e14 0.0 25000.00 ch2chchcho+h<=>ch3chchcho 1.00e+14 0.0 00.0 c4h4+h<=>c4h5-n 1.20e+51 -12.57 12300. PLOG/ 1.32e-2 1.20e+51 -12.57 12300./ PLOG/ 2.63e-2 4.20e+50 -12.34 12500./ PLOG/ 0.12 1.10e+50 -11.94 13400./ PLOG/ 1.0 1.30e+51 -11.92 16500./ PLOG/ 10.0 6.20e+45 -10.08 15800./ c4h4+h<=>c4h5-i 6.10e+53 -13.19 14200. PLOG/ 1.32e-2 6.10e+53 -13.19 14200./ PLOG/ 2.63e-2 9.60e+52 -12.85 14300./ PLOG/ 0.12 2.10e+52 -12.44 15500./ PLOG/ 1.0 4.90e+51 -11.92 17700./ PLOG/ 10.0 1.50e+48 -10.58 18800./ c4h4+h<=>c4h3-n+h2 6.65e+05 2.53 12240.0 c4h4+h<=>c4h3-i+h2 3.33e+05 2.53 9240.0 c4h4+oh<=>c4h3-n+h2o 3.10e+07 2.0 3430.0 c4h4+oh<=>c4h3-i+h2o 1.55e+07 2.0 430.0 c4h4+o<=>c3h3+hco 6.0e+08 1.45 -860.0 c3h3+hcco<=>c4h4+co 2.50e+13 0.0 0.0 c3h3+ch<=>c4h3-i+h 5.00e+13 0.0 0.0 c3h3+ch2<=>c4h4+h 5.00e+13 0.0 0.0 c3h3+ch3(+m)<=>c4h612(+m) 1.50e+12 0.0 0.0 low/ 2.60e+57 -11.94 9770.0/ troe/ 0.175 1340.6 60000.0 9769.8/ h2/ 2.0/ h2o/ 6.0/ ch4/ 2.0/ co/ 1.5/ co2/ 2.0/ c2h6/ 3.0/ ar/ 0.7/ c2h2+c2h(+m)<=>c4h3-n(+m) 8.300e+10 0.899 -363.00 low/ 1.240e+31 -4.718 1871.00/ troe/ 1.0 100. 5613. 13387./ h2/ 2.0/ h2o/ 6.0/ ch4/ 2.0/ co/ 1.5/ co2/ 2.0/ c2h6/ 3.0/ c2h2/ 2.5/ c2h4/ 2.5/ c4h3-n<=>c4h3-i 4.10e+43 -9.49 53000.0 c4h3-n+h<=>c4h3-i+h 2.50e+20 -1.67 10800.0 c4h3-n+h<=>c2h2+h2cc 6.30e+25 -3.34 10014.0 c4h3-n+h<=>c4h4 2.00e+47 -10.26 13070.0 c4h3-n+h<=>c4h2+h2 3.00e+13 0.00 0.0 c4h3-n+oh<=>c4h2+h2o 2.00e+12 0.00 0.0 c2h2+c2h(+m)<=>c4h3-i(+m) 8.300e+10 0.899 -363.00 low/ 1.240e+31 -4.718 1871.00/ troe/ 1.0 100. 5613. 13387./ h2/ 2.0/ h2o/ 6.0/ ch4/ 2.0/ co/ 1.5/ co2/ 2.0/ c2h6/ 3.0/ c2h2/ 2.5/ c2h4/ 2.5/ c4h3-i+h<=>c2h2+h2cc 2.80e+23 -2.55 10780.0 c4h3-i+h<=>c4h4 3.40e+43 -9.01 12120.0 c4h3-i+h<=>c4h2+h2 6.00e+13 0.00 0.0 c4h3-i+oh<=>c4h2+h2o 4.00e+12 0.00 0.0 c4h3-i+o2<=>hcco+ch2co 7.86e+16 -1.80 0.0 c4h3-i+ch2<=>c3h4-a+c2h 2.0e+13 0.0 0.0 c2h2+c2h<=>c4h2+h 9.600e+13 0.000 0.00 c4h2+h<=>c4h3-n 1.10e+42 -8.72 15300.0 c4h2+h<=>c4h3-i 1.10e+30 -4.92 10800.0 c4h2+oh<=>h2c4o+h 6.60e+12 0.0 -410.0 h2c4o+h<=>c2h2+hcco 5.00e+13 0.0 3000.0 h2c4o+oh<=>ch2co+hcco 1.00e+07 2.0 2000.0 h2cc+c2h2(+m)<=>c4h4(+m) 3.500e+05 2.055 -2400.00 low/ 1.400e+60 -12.599 7417.00/ troe/ 0.980 56.0 580.0 4164.0/ h2/ 2.0/ h2o/ 6.0/ ch4/ 2.0/ co/ 1.5/ co2/ 2.0/ c2h6/ 3.0/ c2h2/ 3.00/ c2h4/ 3.00/ h2cc+c2h4<=>c4h6 1.00e+12 0.0 0.0 c4h8o1-2+oh=>ch2o+c3h5-a+h2o 5.000e+12 0.000 0.000e+00 c4h8o1-2+h=>ch2o+c3h5-a+h2 5.000e+12 0.000 0.000e+00 c4h8o1-2+o=>ch2o+c3h5-a+oh 5.000e+12 0.000 0.000e+00 c4h8o1-2+ho2=>ch2o+c3h5-a+h2o2 1.000e+13 0.000 1.500e+04 c4h8o1-2+ch3o2=>ch2o+c3h5-a+ch3o2h 1.000e+13 0.000 1.900e+04 c4h8o1-2+ch3=>ch2o+c3h5-a+ch4 2.000e+11 0.000 1.000e+04 c4h8o1-3+oh=>ch2o+c3h5-a+h2o 5.000e+12 0.000 0.000e+00 c4h8o1-3+h=>ch2o+c3h5-a+h2 5.000e+12 0.000 0.000e+00 c4h8o1-3+o=>ch2o+c3h5-a+oh 5.000e+12 0.000 0.000e+00 c4h8o1-3+ho2=>ch2o+c3h5-a+h2o2 1.000e+13 0.000 1.500e+04 c4h8o1-3+ch3o2=>ch2o+c3h5-a+ch3o2h 1.000e+13 0.000 1.900e+04 c4h8o1-3+ch3=>ch2o+c3h5-a+ch4 2.000e+11 0.000 1.000e+04 c4h8o1-4+oh=>ch2o+c3h5-a+h2o 5.000e+12 0.000 0.000e+00 c4h8o1-4+h=>ch2o+c3h5-a+h2 5.000e+12 0.000 0.000e+00 c4h8o1-4+o=>ch2o+c3h5-a+oh 5.000e+12 0.000 0.000e+00 c4h8o1-4+ho2=>ch2o+c3h5-a+h2o2 1.000e+13 0.000 1.500e+04 c4h8o1-4+ch3o2=>ch2o+c3h5-a+ch3o2h 1.000e+13 0.000 1.900e+04 c4h8o1-4+ch3=>ch2o+c3h5-a+ch4 2.000e+11 0.000 1.000e+04 c4h8o2-3+oh=>ch2o+c3h5-a+h2o 5.000e+12 0.000 0.000e+00 c4h8o2-3+h=>ch2o+c3h5-a+h2 5.000e+12 0.000 0.000e+00 c4h8o2-3+o=>ch2o+c3h5-a+oh 5.000e+12 0.000 0.000e+00 c4h8o2-3+ho2=>ch2o+c3h5-a+h2o2 1.000e+13 0.000 1.500e+04 c4h8o2-3+ch3o2=>ch2o+c3h5-a+ch3o2h 1.000e+13 0.000 1.900e+04 c4h8o2-3+ch3=>ch2o+c3h5-a+ch4 2.000e+11 0.000 1.000e+04 pc4h9+o2<=>pc4h9o2 4.520e+12 0.000 0.000e+00 sc4h9+o2<=>sc4h9o2 7.540e+12 0.000 0.000e+00 sc4h9o2+ch2o<=>sc4h9o2h+hco 5.600e+12 0.000 1.360e+04 sc4h9o2+ch3cho<=>sc4h9o2h+ch3co 2.800e+12 0.000 1.360e+04 sc4h9o2+ho2<=>sc4h9o2h+o2 1.750e+10 0.000 -3.275e+03 ic3h7o2+pc4h9<=>ic3h7o+pc4h9o 7.000e+12 0.000 -1.000e+03 ic3h7o2+sc4h9<=>ic3h7o+sc4h9o 7.000e+12 0.000 -1.000e+03 nc3h7o2+pc4h9<=>nc3h7o+pc4h9o 7.000e+12 0.000 -1.000e+03 nc3h7o2+sc4h9<=>nc3h7o+sc4h9o 7.000e+12 0.000 -1.000e+03 sc4h9o2+sc4h9o2=>o2+sc4h9o+sc4h9o 1.400e+16 -1.610 1.860e+03 sc4h9o2+nc3h7o2=>sc4h9o+nc3h7o+o2 1.400e+16 -1.610 1.860e+03 sc4h9o2+ic3h7o2=>sc4h9o+ic3h7o+o2 1.400e+16 -1.610 1.860e+03 sc4h9o2+c2h5o2=>sc4h9o+c2h5o+o2 1.400e+16 -1.610 1.860e+03 sc4h9o2+ch3o2=>sc4h9o+ch3o+o2 1.400e+16 -1.610 1.860e+03 sc4h9o2+ch3co3=>sc4h9o+ch3co2+o2 1.400e+16 -1.610 1.860e+03 h2+pc4h9o2<=>h+pc4h9o2h 3.010e+13 0.000 2.603e+04 h2+sc4h9o2<=>h+sc4h9o2h 3.010e+13 0.000 2.603e+04 c2h6+pc4h9o2<=>c2h5+pc4h9o2h 1.700e+13 0.000 2.046e+04 c2h6+sc4h9o2<=>c2h5+sc4h9o2h 1.700e+13 0.000 2.046e+04 pc4h9o2+c2h5cho<=>pc4h9o2h+c2h5co 2.000e+11 0.000 9.500e+03 sc4h9o2+c2h5cho<=>sc4h9o2h+c2h5co 2.000e+11 0.000 9.500e+03 sc4h9o2+ch3<=>sc4h9o+ch3o 7.000e+12 0.000 -1.000e+03 sc4h9o2+c2h5<=>sc4h9o+c2h5o 7.000e+12 0.000 -1.000e+03 sc4h9o2+ic3h7<=>sc4h9o+ic3h7o 7.000e+12 0.000 -1.000e+03 sc4h9o2+nc3h7<=>sc4h9o+nc3h7o 7.000e+12 0.000 -1.000e+03 sc4h9o2+pc4h9<=>sc4h9o+pc4h9o 7.000e+12 0.000 -1.000e+03 sc4h9o2+sc4h9<=>sc4h9o+sc4h9o 7.000e+12 0.000 -1.000e+03 sc4h9o2+c3h5-a<=>sc4h9o+c3h5o 7.000e+12 0.000 -1.000e+03 pc4h9o2+ch2o<=>pc4h9o2h+hco 5.600e+12 0.000 1.360e+04 pc4h9o2+ch3cho<=>pc4h9o2h+ch3co 2.800e+12 0.000 1.360e+04 pc4h9o2+ho2<=>pc4h9o2h+o2 1.750e+10 0.000 -3.275e+03 c3h6+pc4h9o2<=>c3h5-a+pc4h9o2h 3.240e+11 0.000 1.490e+04 c3h6+sc4h9o2<=>c3h5-a+sc4h9o2h 3.240e+11 0.000 1.490e+04 c2h4+pc4h9o2<=>c2h3+pc4h9o2h 1.130e+13 0.000 3.043e+04 c2h4+sc4h9o2<=>c2h3+sc4h9o2h 1.130e+13 0.000 3.043e+04 ch3oh+pc4h9o2<=>ch2oh+pc4h9o2h 6.300e+12 0.000 1.936e+04 ch3oh+sc4h9o2<=>ch2oh+sc4h9o2h 6.300e+12 0.000 1.936e+04 c2h3cho+pc4h9o2<=>c2h3co+pc4h9o2h 2.800e+12 0.000 1.360e+04 c2h3cho+sc4h9o2<=>c2h3co+sc4h9o2h 2.800e+12 0.000 1.360e+04 ch4+pc4h9o2<=>ch3+pc4h9o2h 1.120e+13 0.000 2.464e+04 ch4+sc4h9o2<=>ch3+sc4h9o2h 1.120e+13 0.000 2.464e+04 c4h71-3+pc4h9o2<=>c4h7o+pc4h9o 7.000e+12 0.000 -1.000e+03 c4h71-3+sc4h9o2<=>c4h7o+sc4h9o 7.000e+12 0.000 -1.000e+03 h2o2+pc4h9o2<=>ho2+pc4h9o2h 2.400e+12 0.000 1.000e+04 h2o2+sc4h9o2<=>ho2+sc4h9o2h 2.400e+12 0.000 1.000e+04 pc4h9o2+pc4h9o2=>o2+pc4h9o+pc4h9o 1.400e+16 -1.610 1.860e+03 pc4h9o2+sc4h9o2=>pc4h9o+sc4h9o+o2 1.400e+16 -1.610 1.860e+03 pc4h9o2+nc3h7o2=>pc4h9o+nc3h7o+o2 1.400e+16 -1.610 1.860e+03 pc4h9o2+ic3h7o2=>pc4h9o+ic3h7o+o2 1.400e+16 -1.610 1.860e+03 pc4h9o2+c2h5o2=>pc4h9o+c2h5o+o2 1.400e+16 -1.610 1.860e+03 pc4h9o2+ch3o2=>pc4h9o+ch3o+o2 1.400e+16 -1.610 1.860e+03 pc4h9o2+ch3co3=>pc4h9o+ch3co2+o2 1.400e+16 -1.610 1.860e+03 pc4h9o2+ch3<=>pc4h9o+ch3o 7.000e+12 0.000 -1.000e+03 pc4h9o2+c2h5<=>pc4h9o+c2h5o 7.000e+12 0.000 -1.000e+03 pc4h9o2+ic3h7<=>pc4h9o+ic3h7o 7.000e+12 0.000 -1.000e+03 pc4h9o2+nc3h7<=>pc4h9o+nc3h7o 7.000e+12 0.000 -1.000e+03 pc4h9o2+pc4h9<=>pc4h9o+pc4h9o 7.000e+12 0.000 -1.000e+03 pc4h9o2+sc4h9<=>pc4h9o+sc4h9o 7.000e+12 0.000 -1.000e+03 pc4h9o2+c3h5-a<=>pc4h9o+c3h5o 7.000e+12 0.000 -1.000e+03 pc4h9+ho2<=>pc4h9o+oh 7.000e+12 0.000 -1.000e+03 sc4h9+ho2<=>sc4h9o+oh 7.000e+12 0.000 -1.000e+03 ch3o2+pc4h9<=>ch3o+pc4h9o 7.000e+12 0.000 -1.000e+03 ch3o2+sc4h9<=>ch3o+sc4h9o 7.000e+12 0.000 -1.000e+03 pc4h9o2h<=>pc4h9o+oh 1.500e+16 0.000 4.250e+04 sc4h9o+oh<=>sc4h9o2h 1.0e15 -0.8 0.0 nc3h7+ch2o<=>pc4h9o 5.000e+10 0.00 3.457e+03 ch3+c2h5cho<=>sc4h9o 5.000e+10 0.00 9.043e+03 c2h5+ch3cho<=>sc4h9o 3.330e+10 0.00 6.397e+03 pc4h9o2<=>c4h8ooh1-2 2.000e+11 0.000 3.185e+04 pc4h9o2<=>c4h8ooh1-3 2.500e+10 0.000 2.085e+04 pc4h9o2<=>c4h8ooh1-4 4.688e+09 0.000 2.235e+04 sc4h9o2<=>c4h8ooh2-1 3.000e+11 0.000 3.450e+04 sc4h9o2<=>c4h8ooh2-3 2.000e+11 0.000 3.185e+04 sc4h9o2<=>c4h8ooh2-4 3.750e+10 0.000 2.440e+04 pc4h9o2<=>c4h8-1+ho2 4.308e+36 -7.500 3.951e+04 sc4h9o2<=>c4h8-1+ho2 5.980e+42 -9.430 4.153e+04 sc4h9o2<=>c4h8-2+ho2 4.308e+36 -7.500 3.951e+04 c4h8-1+ho2<=>c4h8ooh1-2 1.000e+11 0.000 1.100e+04 c4h8-1+ho2<=>c4h8ooh2-1 1.000e+11 0.000 1.175e+04 c4h8-2+ho2<=>c4h8ooh2-3 1.000e+11 0.000 1.175e+04 c4h8ooh1-2<=>c4h8o1-2+oh 1.380e+12 0.000 1.590e+04 c4h8ooh1-3<=>c4h8o1-3+oh 2.040e+11 0.000 1.950e+04 c4h8ooh1-4<=>c4h8o1-4+oh 5.130e+10 0.000 1.480e+04 c4h8ooh2-1<=>c4h8o1-2+oh 3.980e+12 0.000 1.700e+04 c4h8ooh2-3<=>c4h8o2-3+oh 1.380e+12 0.000 1.590e+04 c4h8ooh2-4<=>c4h8o1-3+oh 4.470e+11 0.000 2.190e+04 c4h8ooh1-1<=>nc3h7cho+oh 9.000e+14 0.000 1.500e+03 c4h8ooh2-2<=>c2h5coch3+oh 9.000e+14 0.000 1.500e+03 c4h8ooh1-3=>oh+ch2o+c3h6 6.635e+13 -0.160 2.990e+04 c4h8ooh2-4=>oh+ch3cho+c2h4 1.945e+18 -1.630 2.679e+04 c4h8ooh1-2+o2<=>c4h8ooh1-2o2 7.540e+12 0.000 0.000e+00 c4h8ooh1-3+o2<=>c4h8ooh1-3o2 7.540e+12 0.000 0.000e+00 c4h8ooh1-4+o2<=>c4h8ooh1-4o2 4.520e+12 0.000 0.000e+00 c4h8ooh2-1+o2<=>c4h8ooh2-1o2 4.520e+12 0.000 0.000e+00 c4h8ooh2-3+o2<=>c4h8ooh2-3o2 7.540e+12 0.000 0.000e+00 c4h8ooh2-4+o2<=>c4h8ooh2-4o2 4.520e+12 0.000 0.000e+00 c4h8ooh1-2o2<=>nc4ket12+oh 2.000e+11 0.000 3.150e+04 c4h8ooh1-3o2<=>nc4ket13+oh 2.500e+10 0.000 2.140e+04 c4h8ooh1-4o2<=>nc4ket14+oh 3.125e+09 0.000 1.935e+04 c4h8ooh2-1o2<=>nc4ket21+oh 1.000e+11 0.000 2.885e+04 c4h8ooh2-3o2<=>nc4ket23+oh 1.000e+11 0.000 2.885e+04 c4h8ooh2-4o2<=>nc4ket24+oh 1.250e+10 0.000 1.785e+04 nc4ket12=>c2h5cho+hco+oh 1.050e+16 0.000 4.160e+04 nc4ket13=>ch3cho+ch2cho+oh 1.050e+16 0.000 4.160e+04 nc4ket14=>ch2ch2cho+ch2o+oh 1.500e+16 0.000 4.200e+04 nc4ket21=>ch2o+c2h5co+oh 1.500e+16 0.000 4.200e+04 nc4ket23=>ch3cho+ch3co+oh 1.050e+16 0.000 4.160e+04 nc4ket24=>ch2o+ch3coch2+oh 1.500e+16 0.000 4.200e+04 c2h5coch3+oh<=>ch2ch2coch3+h2o 7.550e+09 0.970 1.586e+03 c2h5coch3+oh<=>ch3chcoch3+h2o 8.450e+11 0.000 -2.280e+02 c2h5coch3+oh<=>c2h5coch2+h2o 5.100e+11 0.000 1.192e+03 c2h5coch3+ho2<=>ch2ch2coch3+h2o2 2.380e+04 2.550 1.649e+04 c2h5coch3+ho2<=>ch3chcoch3+h2o2 2.000e+11 0.000 8.698e+03 c2h5coch3+ho2<=>c2h5coch2+h2o2 2.380e+04 2.550 1.469e+04 c2h5coch3+o<=>ch2ch2coch3+oh 2.250e+13 0.000 7.700e+03 c2h5coch3+o<=>ch3chcoch3+oh 3.070e+13 0.000 3.400e+03 c2h5coch3+o<=>c2h5coch2+oh 5.000e+12 0.000 5.962e+03 c2h5coch3+h<=>ch2ch2coch3+h2 9.160e+06 2.000 7.700e+03 c2h5coch3+h<=>ch3chcoch3+h2 4.460e+06 2.000 3.200e+03 c2h5coch3+h<=>c2h5coch2+h2 9.300e+12 0.000 6.357e+03 c2h5coch3+o2<=>ch2ch2coch3+ho2 2.050e+13 0.000 5.131e+04 c2h5coch3+o2<=>ch3chcoch3+ho2 1.550e+13 0.000 4.197e+04 c2h5coch3+o2<=>c2h5coch2+ho2 2.050e+13 0.000 4.915e+04 c2h5coch3+ch3<=>ch2ch2coch3+ch4 3.190e+01 3.170 7.172e+03 c2h5coch3+ch3<=>ch3chcoch3+ch4 1.740e+00 3.460 3.680e+03 c2h5coch3+ch3<=>c2h5coch2+ch4 1.620e+11 0.000 9.630e+03 c2h5coch3+ch3o<=>ch2ch2coch3+ch3oh 2.170e+11 0.000 6.460e+03 c2h5coch3+ch3o<=>ch3chcoch3+ch3oh 1.450e+11 0.000 2.771e+03 c2h5coch3+ch3o<=>c2h5coch2+ch3oh 2.170e+11 0.000 4.660e+03 c2h5coch3+ch3o2<=>ch2ch2coch3+ch3o2h 3.010e+12 0.000 1.938e+04 c2h5coch3+ch3o2<=>ch3chcoch3+ch3o2h 2.000e+12 0.000 1.525e+04 c2h5coch3+ch3o2<=>c2h5coch2+ch3o2h 3.010e+12 0.000 1.758e+04 c2h5coch3+c2h3<=>ch2ch2coch3+c2h4 5.000e+11 0.000 1.040e+04 c2h5coch3+c2h3<=>ch3chcoch3+c2h4 3.000e+11 0.000 3.400e+03 c2h5coch3+c2h3<=>c2h5coch2+c2h4 6.150e+10 0.000 4.278e+03 c2h5coch3+c2h5<=>ch2ch2coch3+c2h6 5.000e+10 0.000 1.340e+04 c2h5coch3+c2h5<=>ch3chcoch3+c2h6 3.000e+10 0.000 8.600e+03 c2h5coch3+c2h5<=>c2h5coch2+c2h6 5.000e+10 0.000 1.160e+04 ch3chcoch3+o2<=>ch3choococh3 1.000e+11 0.000 0.000e+00 ch3choococh3<=>ch2choohcoch3 8.900e+12 0.000 2.970e+04 c2h3coch3+ho2<=>ch2choohcoch3 7.000e+10 0.000 7.800e+03 ch2ch2cho<=>c2h4+hco 3.127e+13 -0.520 2.459e+04 ch2ch2coch3<=>c2h4+ch3co 1.000e+14 0.000 1.800e+04 c2h5coch2<=>ch2co+c2h5 1.000e+14 0.000 3.500e+04 c2h3coch3+h<=>ch3chcoch3 5.000e+12 0.00 1.200e+03 ch3chco+ch3<=>ch3chcoch3 1.230e+11 0.00 7.800e+03 nc3h7cho+o2<=>nc3h7co+ho2 1.200e+05 2.50 3.756e+04 nc3h7cho+oh<=>nc3h7co+h2o 2.000e+06 1.80 -1.300e+03 nc3h7cho+h<=>nc3h7co+h2 4.140e+09 1.12 2.320e+03 nc3h7cho+o<=>nc3h7co+oh 5.940e+12 0.00 1.868e+03 nc3h7cho+ho2<=>nc3h7co+h2o2 4.090e+04 2.50 1.020e+04 nc3h7cho+ch3<=>nc3h7co+ch4 2.890e-03 4.62 3.210e+03 nc3h7cho+ch3o<=>nc3h7co+ch3oh 1.000e+12 0.00 3.300e+03 nc3h7cho+ch3o2<=>nc3h7co+ch3o2h 4.090e+04 2.50 1.020e+04 nc3h7cho+oh<=>c3h6cho-1+h2o 5.280e+09 0.97 1.586e+03 nc3h7cho+oh<=>c3h6cho-2+h2o 4.680e+07 1.61 -3.500e+01 nc3h7cho+oh<=>c3h6cho-3+h2o 5.520e+02 3.12 -1.176e+03 nc3h7cho+ho2<=>c3h6cho-1+h2o2 2.379e+04 2.55 1.649e+04 nc3h7cho+ho2<=>c3h6cho-2+h2o2 9.640e+03 2.60 1.391e+04 nc3h7cho+ho2<=>c3h6cho-3+h2o2 3.440e+12 0.05 1.788e+04 nc3h7cho+ch3o2<=>c3h6cho-1+ch3o2h 2.379e+04 2.550 1.649e+04 nc3h7cho+ch3o2<=>c3h6cho-2+ch3o2h 9.640e+03 2.600 1.391e+04 nc3h7cho+ch3o2<=>c3h6cho-3+ch3o2h 3.440e+12 0.050 1.788e+04 nc3h7co<=>nc3h7+co 1.000e+11 0.000 9.600e+03 c3h6cho-1<=>c2h4+ch2cho 7.400e+11 0.000 2.197e+04 c2h5chco+h<=>c3h6cho-3 5.000e+12 0.00 1.200e+03 c2h3cho+ch3<=>c3h6cho-3 1.230e+11 0.00 7.800e+03 sc3h5cho+h<=>c3h6cho-2 5.000e+12 0.00 2.900e+03 c3h6+hco<=>c3h6cho-2 1.000e+11 0.00 6.000e+03 c2h5chco+oh<=>nc3h7+co2 3.730e+12 0.00 -1.010e+03 c2h5chco+h<=>nc3h7+co 4.400e+12 0.00 1.459e+03 c2h5chco+o<=>c3h6+co2 3.200e+12 0.00 -4.370e+02 sc3h5cho+oh<=>sc3h5co+h2o 2.690e+10 0.76 -3.400e+02 c3h5-s+co<=>sc3h5co 5.0e12 0.0 8000.0 sc3h5cho+ho2<=>sc3h5co+h2o2 1.000e+12 0.00 1.192e+04 sc3h5cho+ch3<=>sc3h5co+ch4 3.980e+12 0.00 8.700e+03 sc3h5cho+o<=>sc3h5co+oh 7.180e+12 0.00 1.389e+03 sc3h5cho+o2<=>sc3h5co+ho2 4.000e+13 0.00 3.760e+04 sc3h5cho+h<=>sc3h5co+h2 2.600e+12 0.00 2.600e+03 c2h3coch3+oh<=>ch3cho+ch3co 1.000e+11 0.000 0.000e+00 c2h3coch3+oh=>ch2co+c2h3+h2o 5.100e+11 0.000 1.192e+03 c2h3coch3+ho2=>ch2cho+ch3co+oh 6.030e+09 0.000 7.949e+03 c2h3coch3+ho2=>ch2co+c2h3+h2o2 8.500e+12 0.000 2.046e+04 c2h3coch3+ch3o2=>ch2cho+ch3co+ch3o 3.970e+11 0.000 1.705e+04 c2h3coch3+ch3o2=>ch2co+c2h3+ch3o2h 3.010e+12 0.000 1.758e+04 ic4h10(+m)<=>ch3+ic3h7(+m) 2.5203e+031 -4.102 9.1495e+04 low/ 2.4100e+019 0.000 5.2576e+04/ troe/ 3.6620e-01 8.1530e+02 6.0786e+01 1.0000e+20/ ic4h10<=>tc4h9+h 2.510e+98 -23.810 1.453e+05 ic4h10<=>ic4h9+h 9.850e+95 -23.110 1.476e+05 ic4h10+h<=>tc4h9+h2 6.020e+05 2.400 2.583e+03 ic4h10+h<=>ic4h9+h2 1.810e+06 2.540 6.756e+03 ic4h10+ch3<=>tc4h9+ch4 9.040e-01 3.460 4.598e+03 ic4h10+ch3<=>ic4h9+ch4 1.360e+00 3.650 7.154e+03 ic4h10+oh<=>tc4h9+h2o 2.925e+04 2.531 -1.659e+03 ic4h10+oh<=>ic4h9+h2o 6.654e+04 2.665 -1.689e+02 ic4h10+c2h5<=>ic4h9+c2h6 1.510e+12 0.000 1.040e+04 ic4h10+c2h5<=>tc4h9+c2h6 1.000e+11 0.000 7.900e+03 ic4h10+ho2<=>ic4h9+h2o2 6.120e+01 3.590 1.716e+04 ic4h10+ho2<=>tc4h9+h2o2 4.332e+02 3.010 1.209e+04 ic4h10+o<=>tc4h9+oh 1.968e+05 2.402 1.150e+03 ic4h10+o<=>ic4h9+oh 4.046e+07 2.034 5.136e+03 ic4h10+ch3o<=>ic4h9+ch3oh 4.800e+11 0.000 7.000e+03 ic4h10+ch3o<=>tc4h9+ch3oh 1.900e+10 0.000 2.800e+03 ic4h10+o2<=>ic4h9+ho2 9.000e+13 0.000 5.229e+04 ic4h10+o2<=>tc4h9+ho2 1.000e+13 0.000 4.820e+04 ic4h10+ch3o2<=>ic4h9+ch3o2h 2.079e+00 3.970 1.828e+04 ic4h10+c2h5o2<=>ic4h9+c2h5o2h 2.550e+13 0.000 2.046e+04 ic4h10+ch3co3<=>ic4h9+ch3co3h 2.550e+13 0.000 2.046e+04 ic4h10+nc3h7o2<=>ic4h9+nc3h7o2h 2.550e+13 0.000 2.046e+04 ic4h10+ic3h7o2<=>ic4h9+ic3h7o2h 2.550e+13 0.000 2.046e+04 ic4h10+ic4h9o2<=>ic4h9+ic4h9o2h 2.550e+13 0.000 2.046e+04 ic4h10+tc4h9o2<=>ic4h9+tc4h9o2h 2.550e+13 0.000 2.046e+04 ic4h10+o2cho<=>ic4h9+ho2cho 2.520e+13 0.000 2.044e+04 ic4h10+o2cho<=>tc4h9+ho2cho 2.800e+12 0.000 1.601e+04 ic4h10+sc4h9o2<=>ic4h9+sc4h9o2h 2.250e+13 0.000 2.046e+04 ic4h10+sc4h9o2<=>tc4h9+sc4h9o2h 2.800e+12 0.000 1.600e+04 ic4h10+pc4h9o2<=>ic4h9+pc4h9o2h 2.250e+13 0.000 2.046e+04 ic4h10+pc4h9o2<=>tc4h9+pc4h9o2h 2.800e+12 0.000 1.600e+04 ic4h10+ch3o2<=>tc4h9+ch3o2h 1.366e+02 3.120 1.319e+04 ic4h10+c2h5o2<=>tc4h9+c2h5o2h 2.800e+12 0.000 1.600e+04 ic4h10+ch3co3<=>tc4h9+ch3co3h 2.800e+12 0.000 1.600e+04 ic4h10+nc3h7o2<=>tc4h9+nc3h7o2h 2.800e+12 0.000 1.600e+04 ic4h10+ic3h7o2<=>tc4h9+ic3h7o2h 2.800e+12 0.000 1.600e+04 ic4h10+ic4h9o2<=>tc4h9+ic4h9o2h 2.800e+12 0.000 1.600e+04 ic4h10+tc4h9o2<=>tc4h9+tc4h9o2h 2.800e+12 0.000 1.600e+04 ic4h10+ic4h9<=>tc4h9+ic4h10 2.500e+10 0.000 7.900e+03 ic4h9+ho2<=>ic4h9o+oh 7.000e+12 0.000 -1.000e+03 tc4h9+ho2<=>tc4h9o+oh 7.000e+12 0.000 -1.000e+03 ch3o2+ic4h9<=>ch3o+ic4h9o 7.000e+12 0.000 -1.000e+03 ch3o2+tc4h9<=>ch3o+tc4h9o 7.000e+12 0.000 -1.000e+03 ic4h9<=>tc4h9 3.560e+10 0.880 3.460e+04 ic4h8+h<=>ic4h9 6.250e+11 0.510 2.620e+03 c3h6+ch3<=>ic4h9 1.890e+03 2.670 6.850e+03 h+ic4h8<=>tc4h9 1.060e+12 0.510 1.230e+03 tc4h9+o2<=>ic4h8+ho2 8.370e-01 3.590 1.196e+04 ic4h9+o2<=>ic4h8+ho2 1.070e+00 3.710 9.322e+03 nc3h7o2+ic4h9<=>nc3h7o+ic4h9o 7.000e+12 0.000 -1.000e+03 nc3h7o2+tc4h9<=>nc3h7o+tc4h9o 7.000e+12 0.000 -1.000e+03 nc3h7o2+ic4h7<=>nc3h7o+ic4h7o 7.000e+12 0.000 -1.000e+03 sc4h9o2+ic4h9<=>sc4h9o+ic4h9o 7.000e+12 0.000 -1.000e+03 sc4h9o2+tc4h9<=>sc4h9o+tc4h9o 7.000e+12 0.000 -1.000e+03 pc4h9o2+ic4h9<=>pc4h9o+ic4h9o 7.000e+12 0.000 -1.000e+03 pc4h9o2+tc4h9<=>pc4h9o+tc4h9o 7.000e+12 0.000 -1.000e+03 pc4h9o2+ic4h7<=>pc4h9o+ic4h7o 7.000e+12 0.000 -1.000e+03 sc4h9o2+ic4h7<=>sc4h9o+ic4h7o 7.000e+12 0.000 -1.000e+03 ic4h9+o2<=>ic4h9o2 2.260e+12 0.000 0.000e+00 tc4h9+o2<=>tc4h9o2 1.410e+13 0.000 0.000e+00 ic4h9o2+c4h10<=>ic4h9o2h+sc4h9 1.120e+13 0.000 1.770e+04 tc4h9o2+c4h10<=>tc4h9o2h+sc4h9 1.120e+13 0.000 1.770e+04 ic4h9o2+c4h10<=>ic4h9o2h+pc4h9 1.700e+13 0.000 2.046e+04 tc4h9o2+c4h10<=>tc4h9o2h+pc4h9 1.700e+13 0.000 2.046e+04 ic3h7o2+ic4h9<=>ic3h7o+ic4h9o 7.000e+12 0.000 -1.000e+03 ic3h7o2+tc4h9<=>ic3h7o+tc4h9o 7.000e+12 0.000 -1.000e+03 ic3h7o2+ic4h7<=>ic3h7o+ic4h7o 7.000e+12 0.000 -1.000e+03 ic4h9o2+c3h6<=>ic4h9o2h+c3h5-a 3.240e+11 0.000 1.490e+04 tc4h9o2+c3h6<=>tc4h9o2h+c3h5-a 3.240e+11 0.000 1.490e+04 ic4h9o2+ic4h8<=>ic4h9o2h+ic4h7 1.400e+12 0.000 1.490e+04 tc4h9o2+ic4h8<=>tc4h9o2h+ic4h7 1.400e+12 0.000 1.490e+04 pc4h9o2+ic4h8<=>pc4h9o2h+ic4h7 1.400e+12 0.000 1.490e+04 sc4h9o2+ic4h8<=>sc4h9o2h+ic4h7 1.400e+12 0.000 1.490e+04 ic3h7o2+ic4h8<=>ic3h7o2h+ic4h7 1.400e+12 0.000 1.490e+04 nc3h7o2+ic4h8<=>nc3h7o2h+ic4h7 1.400e+12 0.000 1.490e+04 ic4h9o2+c4h8-1<=>ic4h9o2h+c4h71-3 1.400e+12 0.000 1.490e+04 tc4h9o2+c4h8-1<=>tc4h9o2h+c4h71-3 1.400e+12 0.000 1.490e+04 ic4h9o2+c4h8-2<=>ic4h9o2h+c4h71-3 1.400e+12 0.000 1.490e+04 tc4h9o2+c4h8-2<=>tc4h9o2h+c4h71-3 1.400e+12 0.000 1.490e+04 cc4h8o+oh=>ch2o+c3h5-a+h2o 5.000e+12 0.000 0.000e+00 cc4h8o+h=>ch2o+c3h5-a+h2 3.510e+07 2.000 5.000e+03 cc4h8o+o=>ch2o+c3h5-a+oh 1.124e+14 0.000 5.200e+03 cc4h8o+ho2=>ch2o+c3h5-a+h2o2 1.000e+13 0.000 1.500e+04 cc4h8o+ch3o2=>ch2o+c3h5-a+ch3o2h 1.000e+13 0.000 1.900e+04 cc4h8o+ch3=>ch2o+c3h5-a+ch4 2.000e+11 0.000 1.000e+04 c2h4+tc4h9o2<=>c2h3+tc4h9o2h 8.59 3.754 27132.0 tc4h9o2+ch4<=>tc4h9o2h+ch3 1.130e+13 0.000 2.046e+04 h2+tc4h9o2<=>h+tc4h9o2h 3.010e+13 0.000 2.603e+04 tc4h9o2+c2h6<=>tc4h9o2h+c2h5 1.700e+13 0.000 2.046e+04 tc4h9o2+c3h8<=>tc4h9o2h+ic3h7 2.000e+12 0.000 1.700e+04 tc4h9o2+c3h8<=>tc4h9o2h+nc3h7 1.700e+13 0.000 2.046e+04 tc4h9o2+ch3oh<=>tc4h9o2h+ch2oh 6.300e+12 0.000 1.936e+04 tc4h9o2+c2h5oh<=>tc4h9o2h+pc2h4oh 6.300e+12 0.000 1.936e+04 tc4h9o2+c2h5oh<=>tc4h9o2h+sc2h4oh 4.200e+12 0.000 1.500e+04 ic4h9o2+ch3cho<=>ic4h9o2h+ch3co 2.800e+12 0.000 1.360e+04 tc4h9o2+ch3cho<=>tc4h9o2h+ch3co 2.800e+12 0.000 1.360e+04 ic4h9o2+c2h3cho<=>ic4h9o2h+c2h3co 2.800e+12 0.000 1.360e+04 tc4h9o2+c2h3cho<=>tc4h9o2h+c2h3co 2.800e+12 0.000 1.360e+04 ic4h9o2+c2h5cho<=>ic4h9o2h+c2h5co 2.800e+12 0.000 1.360e+04 tc4h9o2+c2h5cho<=>tc4h9o2h+c2h5co 2.800e+12 0.000 1.360e+04 ic4h9o2+ho2<=>ic4h9o2h+o2 1.750e+10 0.000 -3.275e+03 tc4h9o2+ho2<=>tc4h9o2h+o2 1.750e+10 0.000 -3.275e+03 ic4h9o2+h2o2<=>ic4h9o2h+ho2 2.400e+12 0.000 1.000e+04 tc4h9o2+h2o2<=>tc4h9o2h+ho2 2.400e+12 0.000 1.000e+04 ic4h9o2+ch2o<=>ic4h9o2h+hco 1.300e+11 0.000 9.000e+03 tc4h9o2+ch2o<=>tc4h9o2h+hco 1.300e+11 0.000 9.000e+03 ic4h9o2+ch3o2=>ic4h9o+ch3o+o2 1.400e+16 -1.610 1.860e+03 tc4h9o2+ch3o2=>tc4h9o+ch3o+o2 1.400e+16 -1.610 1.860e+03 ic4h9o2+c2h5o2=>ic4h9o+c2h5o+o2 1.400e+16 -1.610 1.860e+03 tc4h9o2+c2h5o2=>tc4h9o+c2h5o+o2 1.400e+16 -1.610 1.860e+03 ic4h9o2+ch3co3=>ic4h9o+ch3co2+o2 1.400e+16 -1.610 1.860e+03 tc4h9o2+ch3co3=>tc4h9o+ch3co2+o2 1.400e+16 -1.610 1.860e+03 ic4h9o2+ic4h9o2=>o2+ic4h9o+ic4h9o 1.400e+16 -1.610 1.860e+03 ic4h9o2+tc4h9o2=>ic4h9o+tc4h9o+o2 1.400e+16 -1.610 1.860e+03 tc4h9o2+tc4h9o2=>o2+tc4h9o+tc4h9o 1.400e+16 -1.610 1.860e+03 ic4h9o2+pc4h9o2=>ic4h9o+pc4h9o+o2 1.400e+16 -1.610 1.860e+03 tc4h9o2+pc4h9o2=>tc4h9o+pc4h9o+o2 1.400e+16 -1.610 1.860e+03 ic4h9o2+sc4h9o2=>ic4h9o+sc4h9o+o2 1.400e+16 -1.610 1.860e+03 tc4h9o2+sc4h9o2=>tc4h9o+sc4h9o+o2 1.400e+16 -1.610 1.860e+03 ic4h9o2+nc3h7o2=>ic4h9o+nc3h7o+o2 1.400e+16 -1.610 1.860e+03 tc4h9o2+nc3h7o2=>tc4h9o+nc3h7o+o2 1.400e+16 -1.610 1.860e+03 ic4h9o2+ic3h7o2=>ic4h9o+ic3h7o+o2 1.400e+16 -1.610 1.860e+03 tc4h9o2+ic3h7o2=>tc4h9o+ic3h7o+o2 1.400e+16 -1.610 1.860e+03 ic4h9o2+ho2=>ic4h9o+oh+o2 1.400e+16 -1.610 1.860e+03 tc4h9o2+ho2=>tc4h9o+oh+o2 1.400e+16 -1.610 1.860e+03 ic4h9o2+ch3<=>ic4h9o+ch3o 7.000e+12 0.000 -1.000e+03 ic4h9o2+c2h5<=>ic4h9o+c2h5o 7.000e+12 0.000 -1.000e+03 ic4h9o2+ic3h7<=>ic4h9o+ic3h7o 7.000e+12 0.000 -1.000e+03 ic4h9o2+nc3h7<=>ic4h9o+nc3h7o 7.000e+12 0.000 -1.000e+03 ic4h9o2+pc4h9<=>ic4h9o+pc4h9o 7.000e+12 0.000 -1.000e+03 ic4h9o2+sc4h9<=>ic4h9o+sc4h9o 7.000e+12 0.000 -1.000e+03 ic4h9o2+ic4h9<=>ic4h9o+ic4h9o 7.000e+12 0.000 -1.000e+03 ic4h9o2+tc4h9<=>ic4h9o+tc4h9o 7.000e+12 0.000 -1.000e+03 ic4h9o2+c3h5-a<=>ic4h9o+c3h5o 7.000e+12 0.000 -1.000e+03 ic4h9o2+c4h71-3<=>ic4h9o+c4h7o 7.000e+12 0.000 -1.000e+03 ic4h9o2+ic4h7<=>ic4h9o+ic4h7o 7.000e+12 0.000 -1.000e+03 tc4h9o2+ch3<=>tc4h9o+ch3o 7.000e+12 0.000 -1.000e+03 tc4h9o2+c2h5<=>tc4h9o+c2h5o 7.000e+12 0.000 -1.000e+03 tc4h9o2+ic3h7<=>tc4h9o+ic3h7o 7.000e+12 0.000 -1.000e+03 tc4h9o2+nc3h7<=>tc4h9o+nc3h7o 7.000e+12 0.000 -1.000e+03 tc4h9o2+pc4h9<=>tc4h9o+pc4h9o 7.000e+12 0.000 -1.000e+03 tc4h9o2+sc4h9<=>tc4h9o+sc4h9o 7.000e+12 0.000 -1.000e+03 tc4h9o2+ic4h9<=>tc4h9o+ic4h9o 7.000e+12 0.000 -1.000e+03 tc4h9o2+tc4h9<=>tc4h9o+tc4h9o 7.000e+12 0.000 -1.000e+03 tc4h9o2+c3h5-a<=>tc4h9o+c3h5o 7.000e+12 0.000 -1.000e+03 tc4h9o2+c4h71-3<=>tc4h9o+c4h7o 7.000e+12 0.000 -1.000e+03 tc4h9o2+ic4h7<=>tc4h9o+ic4h7o 7.000e+12 0.000 -1.000e+03 ic4h9o2+c2h4<=>ic4h9o2h+c2h3 2.000e+11 0.000 6.000e+03 ic4h9o2+ch4<=>ic4h9o2h+ch3 1.130e+13 0.000 2.046e+04 h2+ic4h9o2<=>h+ic4h9o2h 3.010e+13 0.000 2.603e+04 ic4h9o2+c2h6<=>ic4h9o2h+c2h5 1.700e+13 0.000 2.046e+04 ic4h9o2+c3h8<=>ic4h9o2h+ic3h7 2.000e+12 0.000 1.700e+04 ic4h9o2+c3h8<=>ic4h9o2h+nc3h7 1.700e+13 0.000 2.046e+04 ic4h9o2+ch3oh<=>ic4h9o2h+ch2oh 6.300e+12 0.000 1.936e+04 ic4h9o2+c2h5oh<=>ic4h9o2h+pc2h4oh 6.300e+12 0.000 1.936e+04 ic4h9o2+c2h5oh<=>ic4h9o2h+sc2h4oh 4.200e+12 0.000 1.500e+04 ic4h9o2h<=>ic4h9o+oh 1.500e+16 0.000 4.250e+04 tc4h9o2h<=>tc4h9o+oh 5.950e+15 0.000 4.254e+04 ic4h9o+ho2<=>ic3h7cho+h2o2 1.000e+12 0.000 0.000e+00 ic4h9o+oh<=>ic3h7cho+h2o 1.810e+13 0.000 0.000e+00 ic4h9o+ch3<=>ic3h7cho+ch4 2.400e+13 0.000 0.000e+00 ic4h9o+o<=>ic3h7cho+oh 6.000e+12 0.000 0.000e+00 ic4h9o+h<=>ic3h7cho+h2 1.990e+13 0.000 0.000e+00 ic3h7cho+h<=>ic4h9o 1.000e+12 0.00 5.860e+03 ch2o+ic3h7<=>ic4h9o 5.000e+10 0.00 2.330e+03 ch3coch3+ch3<=>tc4h9o 1.500e+11 0.000 1.190e+04 ic4h9o+o2<=>ic3h7cho+ho2 1.930e+11 0.000 1.660e+03 tc4h9o+o2<=>ic4h8o+ho2 8.100e+11 0.000 4.700e+03 ic4h8o<=>ic3h7cho 4.180e+13 0.000 5.272e+04 ic4h8o+oh<=>ic3h6cho+h2o 1.250e+12 0.000 0.000e+00 ic4h8o+h<=>ic3h6cho+h2 1.250e+12 0.000 0.000e+00 ic4h8o+ho2<=>ic3h6cho+h2o2 2.500e+12 0.000 1.500e+04 ic4h8o+ch3o2<=>ic3h6cho+ch3o2h 2.500e+12 0.000 1.900e+04 ic4h8o+ch3<=>ic3h6cho+ch4 5.000e+10 0.000 1.000e+04 ic4h8o+o<=>ic3h6cho+oh 1.250e+12 0.000 0.000e+00 tc3h6cho+h<=>ic3h7cho 2.000e+14 0.000 0.000e+00 ic3h7+hco<=>ic3h7cho 1.810e+13 0.000 0.000e+00 ic3h7cho+ho2<=>ic3h7co+h2o2 3.000e+12 0.000 1.192e+04 ic3h7cho+ho2<=>tc3h6cho+h2o2 8.000e+10 0.000 1.192e+04 ic3h7cho+ch3<=>ic3h7co+ch4 3.980e+12 0.000 8.700e+03 ic3h7cho+o<=>ic3h7co+oh 7.180e+12 0.000 1.389e+03 ic3h7cho+o2<=>ic3h7co+ho2 4.000e+13 0.000 3.760e+04 ic3h7cho+oh<=>ic3h7co+h2o 2.690e+10 0.760 -3.400e+02 ic3h7cho+oh<=>tc3h6cho+h2o 1.684e+12 0.000 -7.810e+02 ic3h7cho+h<=>ic3h7co+h2 2.600e+12 0.000 2.600e+03 ic3h7cho+oh<=>ic3h6cho+h2o 3.120e+06 2.000 -2.980e+02 ic3h7cho+ho2<=>ic3h6cho+h2o2 2.740e+04 2.550 1.550e+04 ic3h7cho+ch3o2<=>ic3h6cho+ch3o2h 4.760e+04 2.550 1.649e+04 ic3h7+co<=>ic3h7co 1.500e+11 0.00 4.810e+03 c3h6+hco<=>ic3h6cho 1.000e+11 0.00 7.800e+03 c2h3cho+ch3<=>ic3h6cho 1.000e+11 0.00 7.800e+03 !ic4h8+oh<=>ic4h8oh 9.930e+11 0.00 -9.600e+02 !mani removed since in butanol submech !ic4h8oh+o2<=>io2c4h8oh 1.200e+11 0.00 -1.100e+03 !mani removed since in butanol submech !io2c4h8oh=>ch3coch3+ch2o+oh 1.250e+10 0.000 1.890e+04 !mani removed since in butanol submech ic4h9o2<=>ic4h8o2h-i 7.500e+10 0.000 2.440e+04 tc4h9o2<=>tc4h8o2h-i 9.000e+11 0.000 3.450e+04 ic4h9o2<=>ic4h8o2h-t 1.000e+11 0.000 2.920e+04 ic4h9o2<=>ic4h8+ho2 2.265e+35 -7.220 3.949e+04 tc4h9o2<=>ic4h8+ho2 7.612e+42 -9.410 4.149e+04 ic4h8o2h-i+o2<=>ic4h8ooh-io2 2.260e+12 0.000 0.000e+00 tc4h8o2h-i+o2<=>tc4h8ooh-io2 2.260e+12 0.000 0.000e+00 ic4h8o2h-t+o2<=>ic4h8ooh-to2 1.410e+13 0.000 0.000e+00 ic4h8ooh-io2<=>ic4ketii+oh 5.000e+10 0.000 2.140e+04 ic4h8ooh-to2<=>ic4ketit+oh 4.000e+11 0.000 3.150e+04 tc4h8ooh-io2<=>tic4h7q2-i 7.500e+10 0.000 2.440e+04 ic4h7ooh+ho2<=>tic4h7q2-i 1.000e+11 0.000 1.060e+04 ic4h8ooh-io2<=>iic4h7q2-i 3.750e+10 0.000 2.440e+04 ic4h8ooh-io2<=>iic4h7q2-t 1.000e+11 0.000 2.920e+04 ic4h8ooh-to2<=>tic4h7q2-i 6.000e+11 0.000 3.450e+04 ac3h5ooh+ch2o2h<=>iic4h7q2-i 8.500e+10 0.000 1.060e+04 ic4h7ooh+ho2<=>iic4h7q2-t 1.000e+11 0.000 7.800e+03 ch2o2h<=>ch2o+oh 9.000e+14 0.000 1.500e+03 ic4ketii=>ch2o+c2h5co+oh 1.500e+16 0.000 4.200e+04 ic4ketit=>ch3coch3+hco+oh 9.500e+15 0.000 4.254e+04 ic4h8+ho2<=>tc4h8o2h-i 3.970e+11 0.000 1.262e+04 ic4h8+ho2<=>ic4h8o2h-t 3.970e+11 0.000 1.262e+04 ic4h8o2h-i<=>cc4h8o+oh 4.470e+11 0.000 2.190e+04 ic4h8o2h-t<=>ic4h8o+oh 3.090e+12 0.000 1.340e+04 tc4h8o2h-i<=>ic4h8o+oh 3.980e+12 0.000 1.700e+04 ic4h8o2h-i=>oh+ch2o+c3h6 8.451e+15 -0.680 2.917e+04 ic4h8<=>c3h5-t+ch3 1.920e+66 -14.220 1.281e+05 ic4h8<=>ic4h7+h 3.070e+55 -11.490 1.143e+05 ic4h8+h<=>c3h6+ch3 5.680e+33 -5.720 2.000e+04 ic4h8+h<=>ic4h7+h2 3.400e+05 2.500 2.492e+03 ic4h8+o=>ch2co+ch3+ch3 3.330e+07 1.760 7.600e+01 ic4h8+o=>ic3h6co+h+h 1.660e+07 1.760 7.600e+01 ic4h8+o<=>ic4h7+oh 1.206e+11 0.700 7.633e+03 ic4h8+ch3<=>ic4h7+ch4 4.420e+00 3.500 5.675e+03 ic4h8+ho2<=>ic4h7+h2o2 1.928e+04 2.600 1.391e+04 ic4h8+o2cho<=>ic4h7+ho2cho 1.928e+04 2.600 1.391e+04 ic4h8+o2<=>ic4h7+ho2 6.000e+12 0.000 3.990e+04 ic4h8+c3h5-a<=>ic4h7+c3h6 7.940e+11 0.000 2.050e+04 ic4h8+c3h5-s<=>ic4h7+c3h6 7.940e+11 0.000 2.050e+04 ic4h8+c3h5-t<=>ic4h7+c3h6 7.940e+11 0.000 2.050e+04 ic4h8+oh<=>ic4h7+h2o 5.200e+06 2.000 -2.980e+02 ic4h8+o<=>ic3h7+hco 1.580e+07 1.760 -1.216e+03 ic4h8+ch3o2<=>ic4h7+ch3o2h 1.928e+04 2.600 1.391e+04 ic4h8+ho2<=>ic4h8o+oh 1.290e+12 0.000 1.334e+04 ic4h7+o2<=>ic3h5cho+oh 2.470e+13 -0.450 2.302e+04 ic4h7+o2<=>ch3coch2+ch2o 7.140e+15 -1.210 2.105e+04 ic4h7+o2=>c3h4-a+ch2o+oh 7.290e+29 -5.710 2.145e+04 ic4h7+o<=>ic3h5cho+h 6.030e+13 0.000 0.000e+00 ic4h7<=>c3h4-a+ch3 1.230e+47 -9.740 7.426e+04 ch3o2+ic4h7<=>ch3o+ic4h7o 7.000e+12 0.000 -1.000e+03 ic4h7+ho2<=>ic4h7o+oh 7.000e+12 0.000 -1.000e+03 c3h5-t+ch2o<=>ic4h7o 1.000e+11 0.000 1.260e+04 ic4h7o<=>ic4h6oh 1.391e+11 0.000 1.560e+04 ic4h7o<=>ic3h5cho+h 5.000e+13 0.000 2.910e+04 ic4h6oh+h2<=>ic4h7oh+h 2.160e+04 2.380 1.899e+04 ic4h7oh+o2<=>ic4h6oh+ho2 6.000e+13 0.000 3.990e+04 ic4h6oh+ch2o<=>ic4h7oh+hco 6.300e+08 1.900 1.819e+04 ic4h6oh+ic4h8<=>ic4h7oh+ic4h7 4.700e+02 3.300 1.984e+04 ic4h6oh+h<=>ic4h7oh 1.000e+14 0.000 0.000e+00 ic4h6oh+h2o2<=>ic4h7oh+ho2 7.830e+05 2.050 1.358e+04 c3h4-a+ch2oh<=>ic4h6oh 1.000e+11 0.000 9.200e+03 ic4h7o+o2<=>ic3h5cho+ho2 3.000e+10 0.000 1.649e+03 ic4h7o+ho2<=>ic3h5cho+h2o2 3.000e+11 0.000 0.000e+00 ic4h7o+ch3<=>ic3h5cho+ch4 2.400e+13 0.000 0.000e+00 ic4h7o+o<=>ic3h5cho+oh 6.000e+12 0.000 0.000e+00 ic4h7o+oh<=>ic3h5cho+h2o 1.810e+13 0.000 0.000e+00 ic4h7o+h<=>ic3h5cho+h2 1.990e+13 0.000 0.000e+00 ic3h5cho+oh<=>ic3h5co+h2o 2.690e+10 0.760 -3.400e+02 ic3h5cho+ho2<=>ic3h5co+h2o2 1.000e+12 0.000 1.192e+04 ic3h5cho+ch3<=>ic3h5co+ch4 3.980e+12 0.000 8.700e+03 ic3h5cho+o<=>ic3h5co+oh 7.180e+12 0.000 1.389e+03 ic3h5cho+o2<=>ic3h5co+ho2 2.000e+13 0.000 4.070e+04 ic3h5cho+h<=>ic3h5co+h2 2.600e+12 0.000 2.600e+03 ic3h5co<=>c3h5-t+co 1.278e+20 -1.890 3.446e+04 tc3h6ocho+oh<=>tc3h6cho+ho2 2.018e+17 -1.200 2.101e+04 tc3h6ocho<=>ch3coch3+hco 3.980e+13 0.000 9.700e+03 ic3h5cho+h<=>tc3h6cho 1.300e+13 0.000 1.200e+03 ic3h6co+h<=>tc3h6cho 1.300e+13 0.000 4.800e+03 tc3h6cho+h2<=>ic3h7cho+h 2.160e+05 2.380 1.899e+04 ic4h7o+oh<=>ic4h7ooh 1.000e+11 0.000 0.000e+00 ic4h7o+h<=>ic4h7oh 4.000e+13 0.000 0.000e+00 ic4h7oh+h<=>ic4h8oh 1.000e+13 0.000 1.200e+03 ic4h7o+h2<=>ic4h7oh+h 9.050e+06 2.000 1.783e+04 ic4h7+oh<=>ic4h7oh 3.000e+13 0.000 0.000e+00 ic4h7oh+hco<=>ic4h7o+ch2o 3.020e+11 0.00 1.816e+04 tc3h6cho+ch2o<=>ic3h7cho+hco 2.520e+08 1.900 1.819e+04 tc3h6cho+ic4h8<=>ic3h7cho+ic4h7 4.700e+02 3.300 1.984e+04 ic3h6co+oh<=>ic3h7+co2 1.730e+12 0.000 -1.010e+03 tc3h6cho+oh<=>tc3h6ohcho 5.000e+13 0.000 0.000e+00 tc3h6oh+hco<=>tc3h6ohcho 1.810e+13 0.000 0.000e+00 ch3coch3+h<=>tc3h6oh 8.000e+12 0.000 9.500e+03 ic3h5oh+h<=>tc3h6oh 6.250e+11 0.510 4.020e+03 c3h5-t+oh<=>ic3h5oh 5.000e+13 0.000 0.000e+00 tc3h6cho+o2<=>tc3h6o2cho 1.990e+17 -2.100 0.000e+00 tc3h6o2cho<=>ic3h5o2hcho 6.000e+11 0.000 2.988e+04 tc3h6o2cho<=>tc3h6o2hco 1.000e+11 0.000 2.575e+04 ic3h5cho+ho2<=>ic3h5o2hcho 2.230e+11 0.00 1.060e+04 tc3h6o2hco=>ch3coch3+co+oh 4.244e+18 -1.430 4.800e+03 tc3h6oh+o2<=>ch3coch3+ho2 2.230e+13 0.000 0.000e+00 ic3h6co+oh<=>tc3h6oh+co 2.000e+12 0.000 -1.010e+03 tc3h6cho+ho2<=>ic3h7cho+o2 3.675e+12 0.000 1.310e+03 tc3h6cho+ch3<=>ic3h5cho+ch4 3.010e+12 -0.320 -1.310e+02 tc4h8cho<=>ic3h5cho+ch3 1.000e+13 0.000 2.629e+04 tc4h8cho<=>ic4h8+hco 8.520e+12 0.000 2.009e+04 tc4h8cho+o2<=>o2c4h8cho 2.000e+12 0.000 0.000e+00 o2c4h8cho<=>o2hc4h8co 2.160e+11 0.000 1.536e+04 ic4h8o2h-t+co<=>o2hc4h8co 1.500e+11 0.000 4.809e+03 ic4h7o+ic4h8<=>ic4h7oh+ic4h7 2.700e+11 0.000 4.000e+03 ic4h6oh+ho2=>ch2cch2oh+ch2o+oh 1.446e+13 0.000 0.000e+00 ic4h8+ch2cch2oh<=>ic4h7+c3h5oh 7.940e+11 0.000 2.050e+04 ch2cch2oh+h2o2<=>c3h5oh+ho2 3.010e+09 0.00 2.583e+03 c3h5oh+oh<=>ch2cch2oh+h2o 5.060e+12 0.000 5.960e+03 c3h5oh+h<=>ch2cch2oh+h2 3.900e+05 2.500 5.821e+03 c3h5oh+o2<=>ch2cch2oh+ho2 4.000e+13 0.000 6.069e+04 c3h5oh+ch3<=>ch2cch2oh+ch4 2.400e+11 0.000 8.030e+03 ch2cch2oh+ch3<=>ic4h7oh 3.000e+13 0.000 0.000e+00 ch2cch2oh+h<=>c3h5oh 1.000e+14 0.00 0.000e+00 ch2cch2oh+o2=>ch2oh+co+ch2o 4.335e+12 0.000 0.000e+00 ch2cch2oh<=>c2h2+ch2oh 2.163e+40 -8.310 4.511e+04 c3h4-a+oh<=>ch2cch2oh 8.5e+12 0.0 2000.0 ! ! ! !end c4_54.9_release ! ! n-butanol sub mechanism ! ! class 1 unimol decomposition with troe fits nc4h9oh(+m)<=>ch3+c3h6oh(+m) 3.790e+24 -2.230 8.807e+04 low /1.7820e+60 -1.2280e+01 8.3980e+04 / troe / 2.3520e-01 7.2400e+02 5.0000e+09 5.0000e+09 / !troe fall-off reaction ! nc4h9oh(+m)<=>c2h5+pc2h4oh(+m) 5.530e+24 -2.230 8.901e+04 low /6.6320e+59 -1.2130e+01 8.4720e+04 / troe / 2.4380e-01 7.4406e+02 5.0000e+09 5.0000e+09 / !troe fall-off reaction ! nc4h9oh(+m)<=>nc3h7+ch2oh(+m) 3.020e+23 -1.880 8.571e+04 low /1.4160e+59 -1.1930e+01 8.3980e+04 / troe / 7.6460e-01 8.3440e+09 7.2480e+02 8.2140e+09 / !troe fall-off reaction nc4h9oh(+m)<=>oh+pc4h9(+m) 6.330e+20 -1.370 9.493e+04 low /6.9020e+51 -1.0210e+01 8.9200e+04 / troe / 7.0300e-01 9.8820e+09 6.3468e+02 1.7860e+09 / !troe fall-off reaction ! nc4h9oh(+m)<=>h+pc4h9o(+m) 6.040e+14 0.100 1.038e+05 low /2.4080e+39 -7.0300e+00 9.5960e+04 / troe / 3.8650e-01 5.6491e+02 4.4380e+09 6.7100e+09 / !troe fall-off reaction ! nc4h9oh(+m)<=>c4h8-1+h2o(+m) 3.520e+13 0.000 6.723e+04 low /1.6900e+75 -1.7040e+01 6.4750e+04 / troe / 8.0000e-02 1.0000e+00 9.9240e+09 9.9240e+09 / !troe fall-off reaction ! ! ! unimolecular decomposition of h atoms h+c4h8oh-1<=>nc4h9oh 4.00e+13 0.0 0.000 h+c4h8oh-2<=>nc4h9oh 4.00e+13 0.0 0.000 h+c4h8oh-3<=>nc4h9oh 4.00e+13 0.0 0.000 h+c4h8oh-4<=>nc4h9oh 4.00e+13 0.0 0.000 ! ! ! class 2 h atom abstraction rxns ! ! ! nc4h9oh+h<=>c4h8oh-4+h2 6.660e+05 2.540 6.756e+03 nc4h9oh+h<=>c4h8oh-3+h2 1.300e+06 2.400 4.471e+03 nc4h9oh+h<=>c4h8oh-2+h2 1.080e+05 2.690 4.440e+03 nc4h9oh+h<=>c4h8oh-1+h2 8.789e+04 2.680 2.915e+03 nc4h9oh+h<=>pc4h9o+h2 9.450e+02 3.140 8.701e+03 ! ! nc4h9oh+oh<=>c4h8oh-4+h2o 5.280e+09 0.970 1.586e+03 nc4h9oh+oh<=>c4h8oh-3+h2o 1.141e+03 2.87 -2.926e+03 nc4h9oh+oh<=>c4h8oh-2+h2o 1.540e+00 3.700 -3.736e+03 nc4h9oh+oh<=>c4h8oh-1+h2o 3.610e+03 2.890 -2.291e+03 nc4h9oh+oh<=>pc4h9o+h2o 5.880e+02 2.820 -5.850e+02 ! nc4h9oh+o<=>c4h8oh-4+oh 9.810e+05 2.430 4.750e+03 nc4h9oh+o<=>c4h8oh-3+oh 5.520e+05 2.450 2.830e+03 nc4h9oh+o<=>c4h8oh-2+oh 1.440e+05 2.610 3.029e+03 nc4h9oh+o<=>c4h8oh-1+oh 1.450e+05 2.470 8.760e+02 nc4h9oh+o<=>pc4h9o+oh 1.460e-03 4.730 1.727e+03 ! nc4h9oh+o2 <=> ho2+c4h8oh-4 3.000e+13 0.000 5.234e+04 nc4h9oh+o2 <=> ho2+c4h8oh-3 2.000e+13 0.000 4.980e+04 nc4h9oh+o2 <=> ho2+c4h8oh-2 2.000e+13 0.000 4.980e+04 nc4h9oh+o2 <=> ho2+c4h8oh-1 2.000e+13 0.000 4.680e+04 nc4h9oh+o2 <=> ho2+pc4h9o 1.000e+13 0.000 5.634e+04 ! nc4h9oh+ho2<=>c4h8oh-4+h2o2 8.800e-02 4.310 1.727e+04 nc4h9oh+ho2<=>c4h8oh-3+h2o2 2.760e-04 4.760 1.185e+04 nc4h9oh+ho2<=>c4h8oh-2+h2o2 7.510e-03 4.520 1.471e+04 nc4h9oh+ho2<=>c4h8oh-1+h2o2 3.50e-05 5.260 8.268e+03 nc4h9oh+ho2<=>pc4h9o+h2o2 6.470e-07 5.300 1.053e+04 nc4h9oh+ch3<=>c4h8oh-4+ch4 4.530e-01 3.650 7.154e+03 nc4h9oh+ch3<=>c4h8oh-3+ch4 1.510e+00 3.460 5.481e+03 nc4h9oh+ch3<=>c4h8oh-2+ch4 8.020e+00 3.230 6.461e+03 nc4h9oh+ch3<=>c4h8oh-1+ch4 1.993e+01 3.370 7.634e+03 nc4h9oh+ch3<=>pc4h9o+ch4 1.020e+00 3.570 8.221e+03 ! nc4h9oh+hco<=>c4h8oh-4+ch2o 1.020e+05 2.500 1.844e+04 nc4h9oh+hco<=>c4h8oh-3+ch2o 1.090e+07 1.900 1.701e+04 nc4h9oh+hco<=>c4h8oh-2+ch2o 5.160e+05 2.250 1.676e+04 nc4h9oh+hco<=>c4h8oh-1+ch2o 1.000e+07 1.900 1.700e+04 nc4h9oh+hco<=>pc4h9o+ch2o 3.400e+04 2.500 1.350e+04 ! nc4h9oh+ch2oh<=>c4h8oh-4+ch3oh 1.010e+02 2.950 1.397e+04 nc4h9oh+ch2oh<=>c4h8oh-3+ch3oh 6.020e+01 2.950 1.198e+04 nc4h9oh+ch2oh<=>c4h8oh-2+ch3oh 1.530e+01 3.110 1.221e+04 nc4h9oh+ch2oh<=>c4h8oh-1+ch3oh 6.000e+01 2.950 1.200e+04 nc4h9oh+ch2oh<=>pc4h9o+ch3oh 1.200e+02 2.760 1.080e+04 ! nc4h9oh+ch3o<=>c4h8oh-4+ch3oh 2.170e+11 0.000 6.458e+03 nc4h9oh+ch3o<=>c4h8oh-3+ch3oh 1.450e+11 0.000 4.571e+03 nc4h9oh+ch3o<=>c4h8oh-2+ch3oh 3.020e+10 0.180 4.703e+03 nc4h9oh+ch3o<=>c4h8oh-1+ch3oh 1.500e+11 0.000 4.500e+03 nc4h9oh+ch3o<=>pc4h9o+ch3oh 2.300e+10 0.000 2.900e+03 ! ! nc4h9oh+ch3o2<=>c4h8oh-4+ch3o2h 2.380e+04 2.550 1.649e+04 nc4h9oh+ch3o2<=>c4h8oh-3+ch3o2h 9.640e+03 2.600 1.391e+04 nc4h9oh+ch3o2<=>c4h8oh-2+ch3o2h 1.580e+03 2.810 1.405e+04 nc4h9oh+ch3o2<=>c4h8oh-1+ch3o2h 3.000e+12 0.000 1.750e+04 nc4h9oh+ch3o2<=>pc4h9o+ch3o2h 1.500e+12 0.000 1.500e+04 ! nc4h9oh+c2h5<=>c4h8oh-4+c2h6 5.010e+10 0.00 1.340e+04 nc4h9oh+c2h5<=>c4h8oh-3+c2h6 5.010e+10 0.00 1.040e+04 nc4h9oh+c2h5<=>c4h8oh-2+c2h6 5.010e+10 0.00 1.040e+04 nc4h9oh+c2h5<=>c4h8oh-1+c2h6 2.010e+11 0.00 7.900e+03 nc4h9oh+c2h5<=>pc4h9o+c2h6 1.670e10 0.00 1.340e+04 ! ! class 3beta scission rxns ! !c4h8oh-1 c2h3oh+c2h5<=>c4h8oh-1 8.80e+03 2.48 6.13e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 nc3h7cho+h<=>c4h8oh-1 8.000e+12 0.000 9.500e+03 !!ref:analogy with ch3choh --> ch3cho + h. natarajan & bhaskaran symp. intl. shock 13 c4h7oh1-1+h<=>c4h8oh-1 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 ! !c4h8oh-2 c4h8-1+oh<=>c4h8oh-2 9.93e+11 0.00 -9.60e+02 !ref black oh addition to 1c4h8 c3h5oh+ch3<=>c4h8oh-2 1.76e+04 2.48 6.13e+03 !ref henry ch3 addition to c3h6 to produce 2c4h9 h+c4h7oh2-1<=>c4h8oh-2 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7 h+c4h7oh1-1<=>c4h8oh-2 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7 ! !c4h8oh-3 c3h6+ch2oh<=>c4h8oh-3 8.80e+03 2.48 6.130e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 c4h7oh1-4+h<=>c4h8oh-3 4.24e+11 0.51 1.23e+03 !ref henry h addition to c3h6 to produce ic3h7 c4h7oh2-1+h<=>c4h8oh-3 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 ! !c4h8oh-4 c2h4+pc2h4oh<=>c4h8oh-4 8.8e+03 2.480 6.13e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 h+c4h7oh1-4<=>c4h8oh-4 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 ! ! the rxn pc4h9o <=> ch2o+nc3h7 is included above. h+nc3h7cho<=>pc4h9o 1.000e+12 0.00 5.860e+03 ! !class 4 isomerization rxns ! ! pc4h9o<=>c4h8oh-4 1.32e-01 3.632 2.689e+03 !6m pc4h9o<=>c4h8oh-3 5.32e-10 6.204 6.710e+03 !5m c4h8oh-4<=>c4h8oh-1 3.30e-19 8.638 5.268e+03 !5m ! ! class 5 h atom asbtraction from butenols ! abstract h from allylic site only c4h7oh1-3+h<=>c4h6oh1-32+h2 3.376e+05 2.360 2.070e+02 c4h7oh1-3+o<=>c4h6oh1-32+oh 9.590e+12 0.000 1.967e+03 c4h7oh1-3+oh<=>c4h6oh1-32+h2o 2.764e+04 2.640 -1.919e+03 c4h7oh1-3+ch3<=>c4h6oh1-32+ch4 3.690e+00 3.310 4.002e+03 c4h7oh1-3+ho2<=>c4h6oh1-32+h2o2 4.820e+03 2.550 1.053e+04 c4h7oh1-3+ch3o2<=>c4h6oh1-32+ch3o2h 4.820e+03 2.550 1.053e+04 c4h7oh1-3+ch3o<=>c4h6oh1-32+ch3oh 4.000e+01 2.900 8.609e+03 ! ! h atom asbtraction from butenols ! abstract h from allylic site only and leads to a lumped radical c4h7oh2-1+h<=>c4h6oh1-32+h2 1.730e+05 2.500 2.492e+03 c4h7oh2-1+o<=>c4h6oh1-32+oh 5.240e+11 0.700 5.884e+03 c4h7oh2-1+oh<=>c4h6oh1-32+h2o 3.120e+06 2.000 -2.980e+02 c4h7oh2-1+ch3<=>c4h6oh1-32+ch4 3.690e+00 3.310 4.002e+03 c4h7oh2-1+ho2<=>c4h6oh1-32+h2o2 2.700e+04 2.500 1.234e+04 c4h7oh2-1+ch3o2<=>c4h6oh1-32+ch3o2h 2.700e+04 2.500 1.234e+04 ! !h atom asbtraction from butenols ! abstract h from allylic site only and leads to a lumped radical c4h7oh1-4+h<=>c4h6oh1-32+h2 3.376e+05 2.360 2.070e+02 c4h7oh1-4+o<=>c4h6oh1-32+oh 9.590e+12 0.000 1.967e+03 c4h7oh1-4+oh<=>c4h6oh1-32+h2o 2.764e+04 2.640 -1.919e+03 c4h7oh1-4+ch3<=>c4h6oh1-32+ch4 3.690e+00 3.310 4.002e+03 c4h7oh1-4+ho2<=>c4h6oh1-32+h2o2 4.820e+03 2.550 1.053e+04 c4h7oh1-4+ch3o2<=>c4h6oh1-32+ch3o2h 4.820e+03 2.550 1.053e+04 c4h7oh1-4+ch3o<=>c4h6oh1-32+ch3oh 4.000e+01 2.900 8.609e+03 ! !h atom asbtraction from butenols ! abstract h from allylic site only and leads to a lumped radical c4h7oh2-2+h<=>c4h6oh1-32+h2 1.730e+05 2.500 2.492e+03 c4h7oh2-2+o<=>c4h6oh1-32+oh 5.240e+11 0.700 5.884e+03 c4h7oh2-2+oh<=>c4h6oh1-32+h2o 3.120e+06 2.000 -2.980e+02 c4h7oh2-2+ch3<=>c4h6oh1-32+ch4 3.690e+00 3.310 4.002e+03 c4h7oh2-2+ho2<=>c4h6oh1-32+h2o2 2.700e+04 2.500 1.234e+04 c4h7oh2-2+ch3o2<=>c4h6oh1-32+ch3o2h 2.700e+04 2.500 1.234e+04 ! ! !h atom asbtraction from butenols ! abstract h from allylic site only c4h7oh1-2+h<=>c4h6oh1-32+h2 1.730e+05 2.500 2.492e+03 c4h7oh1-2+o<=>c4h6oh1-32+oh 5.240e+11 0.700 5.884e+03 c4h7oh1-2+oh<=>c4h6oh1-32+h2o 3.120e+06 2.000 -2.980e+02 c4h7oh1-2+ch3<=>c4h6oh1-32+ch4 3.690e+00 3.310 4.002e+03 c4h7oh1-2+ho2<=>c4h6oh1-32+h2o2 2.700e+04 2.500 1.234e+04 c4h7oh1-2+ch3o2<=>c4h6oh1-32+ch3o2h 2.700e+04 2.500 1.234e+04 ! !h atom asbtraction from butenols ! abstract h from allylic site only c4h7oh1-1+h<=>c4h6oh1-13+h2 3.376e+05 2.360 2.070e+02 c4h7oh1-1+o<=>c4h6oh1-13+oh 9.590e+12 0.000 1.967e+03 c4h7oh1-1+oh<=>c4h6oh1-13+h2o 2.764e+04 2.640 -1.919e+03 c4h7oh1-1+ch3<=>c4h6oh1-13+ch4 3.690e+00 3.310 4.002e+03 c4h7oh1-1+ho2<=>c4h6oh1-13+h2o2 4.820e+03 2.550 1.053e+04 c4h7oh1-1+ch3o2<=>c4h6oh1-13+ch3o2h 4.820e+03 2.550 1.053e+04 c4h7oh1-1+ch3o<=>c4h6oh1-13+ch3oh 4.000e+01 2.900 8.609e+03 ! ! ! ! class 6 keto-enol isomerizations ! ! rxns for propenols and butenols c4h7oh1-1+ho2<=>nc3h7cho+ho2 1.490e+05 1.67 6.810e+03 c4h7oh1-2+ho2<=>c2h5coch3 +ho2 1.490e+05 1.67 6.810e+03 c4h7oh2-2+ho2<=>c2h5coch3+ho2 1.490e+05 1.67 6.810e+03 ! ch3chchoh+ho2<=>c2h5cho+ho2 1.490e+05 1.67 6.810e+03 ic3h5oh+ho2<=>ch3coch3+ho2 1.490e+05 1.67 6.810e+03 ! ! formic acid catalyzed keto-enol isomerization c2h3oh+hocho<=>ch3cho+hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / c4h7oh1-1+ hocho <=>nc3h7cho+ hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / c4h7oh1-2+ hocho <=>c2h5coch3 + hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / c4h7oh2-2+ hocho <=>c2h5coch3+ hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / ! ch3chchoh+ hocho <=>c2h5cho+ hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / ic3h5oh+ hocho <=>ch3coch3+ hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / ! ! tautomerization of 1-propenol (ch3chchoh) to propanal (c2h5cho) ! ch3chchoh<=>c2h5cho 8.59e+11 0.318 5.59e4 ! ic3h5oh<=>ch3coch3 8.59e+11 0.318 5.59e+04 ! ! tautomerization of 1-butenol (c4h7oh-1) to propanal (nc3h7cho) ! c4h7oh1-1<=>nc3h7cho 8.59e+11 0.318 5.59e+04 ! ! tautomerization of c4h7oh1-2 to ethylmethylketone (c2h5coch3) ! c4h7oh2-1<=>c2h5coch3 8.59e+11 0.318 5.59e4 ! ! tautomerization of c4h7oh2-2 to ethylmethylketone (c2h5coch3) ! c4h7oh2-2<=>c2h5coch3 8.59e+11 0.318 5.59e4 ! ! tautomerization of ic3h6choh to ibutanal (ic3h7cho) ! ic3h6choh<=>ic3h7cho 8.59e+11 0.318 5.59e4 ! ! class 7 o2 and h addition to butenols c4h7oh1-3+o2<=>c4h6oh1-32+ho2 6.000e+12 0.000 3.719e+04 ! ! o2 addition to butenols c4h7oh2-1+o2<=>c4h6oh1-32+ho2 6.000e+12 0.000 3.719e+04 ! ! o2 addition to butenols c4h7oh1-4+o2<=>c4h6oh1-32+ho2 6.000e+12 0.000 3.719e+04 ! ! o2 addition to butenols c4h7oh2-2+o2<=>c4h6oh1-32+ho2 6.000e+12 0.000 3.719e+04 ! ! o2 addition rxn c4h7oh1-2+o2<=>c4h6oh1-32+ho2 4.000e+12 0.000 3.990e+04 ! ! o2 addition rxn c4h7oh1-1+o2<=>c4h6oh1-13+ho2 4.000e+12 0.000 3.719e+04 ! !hydrogen atom addition to double bond ! c3h5oh+h<=>c2h4+ch2oh 6.26e+13 0.0 4.50e3 ic3h5oh+h<=>c2h3oh+ch3 6.26e+13 0.0 4.50e3 ic3h5oh+h<=>c3h6+oh 6.26e+13 0.0 4.50e3 ch3chchoh+h<=>c2h3oh+ch3 6.26e+13 0.0 4.50e3 ch3chchoh+h<=>c3h6+oh 6.26e+13 0.0 4.50e3 ic3h6choh+h<=>ch3chchoh+ch3 6.26e+13 0.0 4.50e3 ic3h6choh+h<=>ic4h8+oh 6.26e+13 0.0 4.50e3 c4h7oh1-1+h<=>c4h8-1+oh 6.26e+13 0.0 4.50e3 c4h7oh1-1+h<=>c2h3oh+c2h5 6.26e+13 0.0 4.50e3 c4h7oh1-2+h<=>c4h8-1+oh 6.26e+13 0.0 4.50e3 c4h7oh1-2+h<=>c2h3oh+c2h5 6.26e+13 0.0 4.50e3 c4h7oh2-2+h<=>ic3h5oh+ch3 6.26e+13 0.0 4.50e3 c4h7oh2-2+h<=>c4h8-2+oh 6.26e+13 0.0 4.50e3 c4h7oh2-2+h<=>ch3chchoh+ch3 6.26e+13 0.0 4.50e3 ic3h5ch2oh+h<=>ch3+c3h5oh 6.26e+13 0.0 4.50e3 c4h7oh1-3+h<=>c2h4+sc2h4oh 6.26e+13 0.0 4.50e3 c4h7oh1-4+h<=>c2h4+pc2h4oh 6.26e+13 0.0 4.50e3 c4h7oh2-1+h<=>c3h6+ch2oh 6.26e+13 0.0 4.50e3 c4h7oh2-1+h<=>c4h8-2+oh 6.26e+13 0.0 4.50e3 c4h7oh2-1+h<=>ch3chchoh+ch3 6.26e+13 0.0 4.50e3 ! ! ! class 8 ! decomposition of butenol radicals c4h6oh1-32<=>c4h6+oh 7.035e+16 -1.012 3.607e+04 ! c4h6oh1-13<=>c4h5oh-13+h 7.722e+12 0.488 4.394e+04 ! ! ! class 8 for propenols c3h6+oh<=>ic3h6oh 2.92e+12 0.00 -1.0e+03 !ref johnson et al. propanol 2009 c3h6+oh c2h3oh+ch3<=>ic3h6oh 1.89e+03 2.67 6.85e+03 !ref ch3 addition to c3h6 to produce ic4h9 ic3h5oh+h<=>ic3h6oh 6.25e+11 0.51 2.62e+03 !ref h addition to ic4h8 to produce ic4h9 ! !c3h6oh-1 c2h5cho+h<=>c3h6oh-1 4.24e11 0.51 1.23e+03 !ref h addition to c3h6 to produce ic3h7 ch3chchoh+h<=>c3h6oh-1 2.50e11 0.51 2.62e+03 !ref h addition to c3h6 to produce nc3h7 ch3+c2h3oh<=>c3h6oh-1 1.76e04 2.48 6.130e+03 !ref ch3 addition to c3h6 to produce sc4h9 ! !c3h6oh-2 c3h6+oh<=>c3h6oh-2 4.95e+11 0.00 -9.600e+02 !ref johnson et al. propanol 2009 c3h6+oh h+ch3chchoh<=>c3h6oh-2 2.50e11 0.51 2.62e+03 !ref h addition to c3h6 to produce nc3h7 h+c3h5oh<=>c3h6oh-2 4.24e11 0.51 1.23e+03 !ref h addition to c3h6 to produce ic3h7 ! ! ! class 9 unimolecular decomposition of butenols. ! c4h7oh1-3<=>c4h71-3+oh 2.367e+20 -1.189 9.434e+04 c4h7oh1-3<=>c2h3+sc2h4oh 6.644e+19 -1.132 7.459e+04 ! !unimolecular decomposition of butenols. ! c4h7oh2-1<=>c4h71-3+oh 2.367e+20 -1.189 9.434e+04 c4h7oh2-1<=>c3h5-a+ch2oh 6.644e+19 -1.132 7.459e+04 ! ! unimolecular decomposition of butenols. ! c4h7oh1-4<=>c4h71-4+oh 2.367e+20 -1.189 9.434e+04 c4h7oh1-4<=>c2h3+pc2h4oh 6.644e+19 -1.132 7.459e+04 ! ! unimolecular decomposition of butenols. ! c4h7oh2-2<=>c4h72-2+oh 2.367e+20 -1.189 9.434e+04 ! !unimolecular decomposition of butenols. ! c4h7oh1-2<=>c4h71-2+oh 5.887e+19 -0.956 9.595e+04 c4h7oh1-2<=>c2h5+ch2cho 2.214e+22 -1.576 9.752e+04 ! !unimolecular decomposition of butenols. ! c4h7oh1-1<=>c2h5+ch2cho 2.214e+22 -1.576 9.752e+04 c4h7oh1-1<=>c4h71-1+oh 5.887e+19 -0.956 9.595e+04 ! ! ! reactions of di-butenols c4h5oh-13<=>c4h5-n+oh 5.610e+21 -1.612 1.060e+05 c4h5oh-13<=>c2h3+ch2cho 2.816e+24 -2.381 9.013e+04 ! ! ! ! ! end of n-butanol sub-mechanism ! ! ! start iso-pentenol mechanism ! ! ***************class 1 unimol decomposition with troe fits ***************************** ! ic5h11oh<=>ch3+c4h8oh-3 1.170e+026 -2.457 8.819e+04 !Zhao a*10 PLOG / 0.01 4.12E+114 -28.629 135330. / ! a*10 PLOG / 0.0395 1.43E+106 -26.02 132170. / ! a*10 PLOG / 1.0 1.600E+78 -17.679 118480. / ! a*10 PLOG / 10.0 1.140E+56 -11.204 106110. / ! a*10 PLOG / 100.0 4.250E+38 -6.15 95860. / ! a*10 ! ic5h11oh<=>ic3h7+pc2h4oh 3.440e+025 -2.455 8.805e+04 !from Zhao et al. R2-RC3 PLOG / 0.01 3.89E+109 -27.335 132780. / PLOG / 0.0395 1.78E+102 -25.04 130260. / PLOG / 1.0 1.160E+76 -17.214 117600. / PLOG / 10.0 2.790E+54 -10.895 105530. / PLOG / 100.0 1.960E+37 -5.92 95440. / ic5h11oh<=>ic4h9+ch2oh 6.400e+23 -2.229 8.601e+04 ! from Zhao et al. R1-RC3 PLOG / 0.01 3.050E+91 -22.360 121070. / PLOG / 0.0395 2.690E+86 -20.730 119870. / PLOG / 1.0 2.140E+65 -14.382 110180. / PLOG / 10.0 2.790E+54 -10.895 105530. / PLOG / 100.0 2.860E+32 -4.80 91540. / ! ic5h11oh<=>oh+dc5h11 1.880e+22 -1.689 9.664e+04 ! from Zhao et al. R5-RC3 PLOG / 0.01 3.57E+106 -26.961 137870. / PLOG / 0.0395 3.94E+102 -25.57 138110. / PLOG / 1.0 6.670E+80 -18.858 129720. / PLOG / 10.0 2.000E+58 -12.210 117860. / PLOG / 100.0 9.380E+37 -6.29 106190. / ! ic5h11oh(+m)<=>h+ic5h11o(+m) 6.040e+14 0.100 1.038e+05 ! from n-butanol !rev/ 9.943e+13 0.004 -1.050e+03 / low /2.4080e+39 -7.0300e+00 9.5960e+04 / troe / 3.8650e-01 5.6491e+02 4.4380e+09 6.7100e+09 / !troe fall-off reaction ! ic5h11oh<=>cc5h10+h2o 5.020e+8 1.522 6.619e+04 ! from Zhao et al. PLOG / 0.01 1.610E+87 -21.459 110100. / PLOG / 0.0395 9.430E+77 -18.68 105860. / PLOG / 1.0 1.720E+51 -10.799 91720. / PLOG / 10.0 2.190E+32 -5.303 80850. / PLOG / 100.0 4.440E+18 -1.34 72670. / ! !********************** unimolecular decomposition of h atoms *********************** h+ic5h10oh-1<=>ic5h11oh 4.00e+13 0.0 0.000 h+ic5h10oh-2<=>ic5h11oh 4.00e+13 0.0 0.000 h+ic5h10oh-3<=>ic5h11oh 4.00e+13 0.0 0.000 h+ic5h10oh-4<=>ic5h11oh 4.00e+13 0.0 0.000 ! !*************************h-abstraction********************************************* ! c-4 taken from primary alkanes ! c-3 taken as tertiary alkane, except for oh and ho2 when treated as gamma with bde corrected for tertiary ! everything else taken from butanol model !*********************************************************************************** !**** h ***** ic5h11oh+h<=>ic5h10oh-4+h2 1.330e+06 2.54 6.756e+03 !primary alkane rule Ax2 ic5h11oh+h<=>ic5h10oh-3+h2 6.020e+05 2.40 2.583e+03 !tertiary alkane rule ic5h11oh+h<=>ic5h10oh-2+h2 1.080e+05 2.690 4.440e+03 !butanol beta ic5h11oh+h<=>ic5h10oh-1+h2 8.789e+04 2.680 2.915e+03 !butanol ic5h11oh+h<=>ic5h11o+h2 9.450e+02 3.140 8.701e+03 !butanol !***** oh ****** ic5h11oh+oh<=>ic5h10oh-4+h2o 1.054e+10 0.97 1.586e+03 !primary alkane rule Ax2 ic5h11oh+oh<=>ic5h10oh-3+h2o 0.705e+03 2.87 -4.130e+03 !butanol gamma, -3*.4kcal Ea for BDE and A/2 ic5h11oh+oh<=>ic5h10oh-2+h2o 1.540e+00 3.700 -3.736e+03 !butanol ic5h11oh+oh<=>ic5h10oh-1+h2o 3.610e+03 2.890 -2.291e+03 !butanol ic5h11oh+oh<=>ic5h11o+h2o 5.880e+02 2.820 -5.850e+02 !butanol !****** o ******* ic5h11oh+o<=>ic5h10oh-4+oh 1.962e+06 2.43 4.750e+03 !primary alkane rule Ax2 ic5h11oh+o <=>ic5h10oh-3+oh 3.830e+05 2.410 1.140e+03 !tertiary alkane rule ic5h11oh+o<=>ic5h10oh-2+oh 1.440e+05 2.610 3.029e+03 !butanol ic5h11oh+o<=>ic5h10oh-1+oh 1.45e+05 2.470 8.760e+02 !butanol ic5h11oh+o<=>ic5h11o+oh 1.460e-03 4.730 1.727e+03 !butanol !******* o2 ******** ic5h11oh+o2 <=> ho2+ic5h10oh-4 6.000e+13 0.00 5.280e+04 !primary alkane rule Ax2 ic5h11oh+o2 <=> ho2+ic5h10oh-3 1.000e+13 0.00 4.820e+04 !tertiary alkane rule ic5h11oh+o2 <=> ho2+ic5h10oh-2 2.000e+13 0.000 4.980e+04 !butanol ic5h11oh+o2 <=> ho2+ic5h10oh-1 2.000e+13 0.000 4.680e+04 !butanol ic5h11oh+o2 <=> ho2+ic5h11o 1.000e+13 0.000 5.634e+04 !butanol !******* ho2 ******** ic5h11oh+ho2<=>ic5h10oh-4+h2o2 4.080e+01 3.590 1.716e+04 !primary alkane rule Ax2 ic5h11oh+ho2<=>ic5h10oh-3+h2o2 1.380e-04 4.760 8.850e+03 !butanol gamma, -3 kcal Ea for BDE and A/2 ic5h11oh+ho2<=>ic5h10oh-2+h2o2 7.510e-03 4.520 1.471e+04 !butanol ic5h11oh+ho2<=>ic5h10oh-1+h2o2 3.50e-05 5.260 8.268e+03 !butanol ic5h11oh+ho2<=>ic5h11o+h2o2 6.470e-07 5.300 1.053e+04 !butanol !******* ch3 ******* ic5h11oh+ch3<=>ic5h10oh-4+ch4 9.060e-01 3.650 7.154e+03 !primary alkane rule Ax2 ic5h11oh+ch3<=>ic5h10oh-3+ch4 6.010e-10 6.360 8.930e+02 !tertiary alkane rule ic5h11oh+ch3<=>ic5h10oh-2+ch4 8.020e+00 3.230 6.461e+03 !butanol ic5h11oh+ch3<=>ic5h10oh-1+ch4 1.993e+01 3.370 7.634e+03 !butanol ic5h11oh+ch3<=>ic5h11o+ch4 1.020e+00 3.570 8.221e+03 !butanol !******* hco *********** ic5h11oh+hco<=>ic5h10oh-4+ch2o 2.040e+05 2.500 1.844e+04 !butanol Ax2 ic5h11oh+hco<=>ic5h10oh-3+ch2o 5.450e+06 1.900 1.701e+04 !butanol gamma a/2 ic5h11oh+hco<=>ic5h10oh-2+ch2o 5.160e+05 2.250 1.676e+04 !butanol ic5h11oh+hco<=>ic5h10oh-1+ch2o 1.000e+07 1.900 1.700e+04 !butanol ic5h11oh+hco<=>ic5h11o+ch2o 3.400e+04 2.500 1.350e+04 !butanol !********* ch2oh ******** ic5h11oh+ch2oh<=>ic5h10oh-4+ch3oh 2.020e+02 2.950 1.397e+04 !butanol Ax2 ic5h11oh+ch2oh<=>ic5h10oh-3+ch3oh 3.010e+01 2.950 1.198e+04 !butanol gamma a/2 ic5h11oh+ch2oh<=>ic5h10oh-2+ch3oh 1.530e+01 3.110 1.221e+04 !butanol ic5h11oh+ch2oh<=>ic5h10oh-1+ch3oh 6.000e+01 2.950 1.200e+04 !butanol ic5h11oh+ch2oh<=>ic5h11o+ch3oh 1.200e+02 2.760 1.080e+04 !butanol !******** ch3o ********** ic5h11oh+ch3o<=>ic5h10oh-4+ch3oh 3.000e+11 0.000 7.000e+03 !primary alkane rule Ax2 ic5h11oh+ch3o<=>ic5h10oh-3+ch3oh 1.900e+10 0.000 2.800e+03 !tertiary alkane rule ic5h11oh+ch3o<=>ic5h10oh-2+ch3oh 3.020e+10 0.180 4.703e+03 !butanol ic5h11oh+ch3o<=>ic5h10oh-1+ch3oh 1.500e+11 0.000 4.500e+03 !butanol ic5h11oh+ch3o<=>ic5h11o+ch3oh 2.300e+10 0.000 2.900e+03 !butanol !******* ch3o2 ******** ic5h11oh+ch3o2<=>ic5h10oh-4+ch3o2h 1.386e+00 3.970 1.828e+04 !primary alkane rule Ax2 ic5h11oh+ch3o2<=>ic5h10oh-3+ch3o2h 2.060e+02 3.120 1.319e+04 !tertiary alkane rule ic5h11oh+ch3o2<=>ic5h10oh-2+ch3o2h 5.360e-04 4.660 1.352e+04 !butanol ic5h11oh+ch3o2<=>ic5h10oh-1+ch3o2h 2.550e-02 4.340 9.022e+03 !butanol ic5h11oh+ch3o2<=>ic5h11o+ch3o2h 5.600e-03 4.120 1.673e+04 ! butanol !******** c2h5 ******** ic5h11oh+c2h5<=>ic5h10oh-4+c2h6 1.580e+11 0.000 1.230e+04 !primary alkane rule Ax2 ic5h11oh+c2h5<=>ic5h10oh-3+c2h6 1.000e+11 0.00 7.900e+03 !tertiary alkane rule ic5h11oh+c2h5<=>ic5h10oh-2+c2h6 5.010e+10 0.00 1.040e+04 !butanol ic5h11oh+c2h5<=>ic5h10oh-1+c2h6 2.010e+11 0.00 7.900e+03 !butanol ic5h11oh+c2h5<=>ic5h11o+c2h6 1.670e10 0.00 1.340e+04 !butanol ! !********************** isomerization reactions ********************************************************** ! ic5h11o<=>ic5h10oh-3 2.66e-10 6.204 6.710e+03 !5m, t, butanol sec a/2, ea -3 kcal ic5h11o<=>ic5h10oh-4 2.64e-01 3.632 2.689e+03 !6m, p, from butanol ax2 ! ic5h10oh-4<=>ic5h10oh-1 3.30e-19 8.638 5.268e+03 !5m, butanol ! ! ! !************************ beta scission rxns **************************************************************** ! ! c3h6+pc2h4oh<=>ic5h10oh-4 8.80e+03 2.48 6.130e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 ch3+c4h7oh1-4<=>ic5h10oh-4 1.89e+03 2.67 6.850e+03 !ref henry ch3 addition to c3h6 to produce ic4h9 h+ic5h9oh1-3<=>ic5h10oh-4 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7 ! ic4h8+ch2oh<=>ic5h10oh-3 8.80e+03 2.48 6.130e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 h+ic5h9oh1-3<=>ic5h10oh-3 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7 h+ic5h9oh1-2<=>ic5h10oh-3 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7/ ! cc5h10+oh<=>ic5h10oh-2 9.93e+11 0.00 -9.60e+02 !ref black oh addition to 1c4h8 c4h7oh2-1+ch3<=>ic5h10oh-2 8.80e+03 2.48 6.130e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 h+ic5h9oh1-2<=>ic5h10oh-2 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7/ h+ic5h9oh1-1<=>ic5h10oh-2 2.5e+11 0.510 2.620e+03 !ref henry h addition to c3h6 to produce nc3h7/ ! c2h3oh+ic3h7<=>ic5h10oh-1 8.80e+03 2.48 6.130e+03 !ref henry c2h5 addition to c3h6 to produce 2c5h11 ic4h9cho+h<=>ic5h10oh-1 8.00e+12 0.00 9.500e+03 !ref:analogy with ch3choh --> ch3cho + h. natarajan & bhaskaran symp. intl. shock 130.400 3.543e+04 ic5h9oh1-1+h<=>ic5h10oh-1 2.50e+11 0.51 2.62e+03 !ref henry h addition to c3h6 to produce nc3h7 ! h+ic4h9cho<=>ic5h11o 1.000e+12 0.00 5.860e+03 ic4h9+ch2o<=>ic5h11o 5.000e+10 0.00 3.457e+03 ! ! !********************* iso-pentenol chemistry *********************************************** ! ! !*** class 5 h-abstraction from enols*** ! allylic h-abstraction dominant, taken from pentene ! ic5h9oh1-3+h<=>ic5h8oh32+h2 3.376e+05 2.360 2.070e+02 ic5h9oh1-3+o<=>ic5h8oh32+oh 9.900e+05 2.430 1.210e+03 ic5h9oh1-3+oh<=>ic5h8oh32+h2o 2.764e+04 2.640 -1.919e+03 ic5h9oh1-3+ch3<=>ic5h8oh32+ch4 3.690e+00 3.310 4.002e+03 ic5h9oh1-3+ho2<=>ic5h8oh32+h2o2 4.820e+03 2.550 1.053e+04 ic5h9oh1-3+ch3o2<=>ic5h8oh32+ch3o2h 4.820e+03 2.550 1.053e+04 ic5h9oh1-3+ch3o<=>ic5h8oh32+ch3oh 4.000e+01 2.900 8.609e+03 ic5h9oh1-3+o2<=>ic5h8oh32+ho2 6.000e+12 0.000 3.719e+04 ! ic5h9oh1-2+h<=>ic5h8oh32+h2 1.730e+05 2.500 2.492e+03 ic5h9oh1-2+o<=>ic5h8oh32+oh 5.240e+11 0.700 5.884e+03 ic5h9oh1-2+oh<=>ic5h8oh32+h2o 3.120e+06 2.000 -2.980e+02 ic5h9oh1-2+ch3<=>ic5h8oh32+ch4 3.690e+00 3.310 4.002e+03 ic5h9oh1-2+ho2<=>ic5h8oh32+h2o2 2.700e+04 2.500 1.234e+04 ic5h9oh1-2+ch3o2<=>ic5h8oh32+ch3o2h 2.700e+04 2.500 1.234e+04 ic5h9oh1-2+ch3o<=>ic5h8oh32+ch3oh 4.000e+01 2.900 8.609e+03 ic5h9oh1-2+o2<=>ic5h8oh32+ho2 6.000e+12 0.000 3.719e+04 ! ic5h9oh1-1+h<=>ic5h8oh32+h2 1.730e+05 2.500 2.492e+03 ic5h9oh1-1+o<=>ic5h8oh32+oh 5.240e+11 0.700 5.884e+03 ic5h9oh1-1+oh<=>ic5h8oh32+h2o 3.120e+06 2.000 -2.980e+02 ic5h9oh1-1+ch3<=>ic5h8oh32+ch4 3.690e+00 3.310 4.002e+03 ic5h9oh1-1+ho2<=>ic5h8oh32+h2o2 2.700e+04 2.500 1.234e+04 ic5h9oh1-1+ch3o2<=>ic5h8oh32+ch3o2h 2.700e+04 2.500 1.234e+04 ic5h9oh1-1+ch3o<=>ic5h8oh32+ch3oh 4.000e+01 2.900 8.609e+03 ic5h9oh1-1+o2<=>ic5h8oh32+ho2 6.000e+12 0.000 3.719e+04 ! ! !*** class 6 keto-enol isomerizations *** ic5h9oh1-1+ho2<=>ic4h9cho+ho2 1.490e+05 1.67 6.810e+03 ! ! formic acid catalyzed keto-enol isomerization ic5h9oh1-1+hocho<=>ic4h9cho+hocho 2.81e-02 3.286 -4509 rev / 7.04e+04 1.209 556 / ! ! h-catalyzed keto-enol isomerization include rmg rates for low p flame simulations ic5h9oh1-1+h(+m)=ic4h9cho+h(+m) 1.0e0 0.0 0.0 ! tcheb / 290.0 3000.0 / pcheb / 0.009869232667160128 98.69232667160128 / cheb / 5 3 / cheb / 1.1686000e+01 -8.9255000e-01 -1.8968000e-01 / cheb / 1.0258000e+00 8.8111000e-01 1.1329000e-01 / cheb / -1.0827000e-01 1.5423000e-01 1.0637000e-01 / cheb / -1.1460000e-01 -6.6920000e-02 1.3608000e-02 / cheb / -4.7884000e-02 -6.4850000e-02 -2.4835000e-02 / ! ! tautomerization of pentenol to iso-pentanal ! ic5h9oh1-1<=>ic4h9cho 8.59e+11 0.318 5.59e+04 ! !**** class 7 o2 and h addition to butenols****** ! ic5h9oh1-1+h<=>cc5h10+oh 6.26e+13 0.00 4.500e+03 ic5h9oh1-1+h<=>c2h3oh+ic3h7 6.26e+13 0.00 4.500e+03 ! ic5h9oh1-2+h<=>cc5h10+oh 6.26e+13 0.00 4.500e+03 ic5h9oh1-2+h<=>ic4h8+ch2oh 6.26e+13 0.00 4.500e+03 ! ic5h9oh1-3+h<=>c3h6+pc2h4oh 6.26e+13 0.00 4.500e+03 ic5h9oh1-3+h<=>ic4h8+ch2oh 6.26e+13 0.00 4.500e+03 ! ! !**** class 8 beta-scission of pentenol radicals ****** ! ic5h8oh32<=>c5h81-3+oh 7.035e+16 -1.012 3.607e+04 !butenol c4h6oh1-32<=>c4h6+oh ic5h8oh32<=>c4h5oh-13+ch3 7.554e+14 -0.520 3.852e+04 !c5h91-3<=>c4h6+ch3 ! ! ! *** class 9 decomposition of enols *** ! ic5h9oh1-3<=>ic5h9+oh 2.367e+20 -1.189 9.434e+04 !butenol c4h7oh1-4<=>c4h71-4+oh ic5h9oh1-2<=>ic5h9+oh 2.367e+20 -1.189 9.434e+04 !butenol c4h7oh2-1<=>c4h71-3+oh ic5h9oh1-1<=>ic5h9+oh 5.887e+19 -0.956 9.595e+04 !butenol c4h7oh1-1<=>c4h71-1+oh ! ic5h9oh1-1<=>ic3h7+ch2cho 2.214e+22 -1.576 9.752e+04 !butenol c4h7oh1-1<=>c2h5+ch2cho ic5h9oh1-2<=>ic4h7+ch2oh 6.644e+19 -1.132 7.459e+04 !butenol c4h7oh2-1<=>c3h5-a+ch2oh ic5h9oh1-3<=>c3h5-t+pc2h4oh 6.644e+19 -1.132 7.459e+04 ! butenol c4h7oh1-4<=>c2h3+pc2h4oh pentane c5h10-1<=> ?? not in the model ! ! class 10 1-hydroxypentyl + o2 reactions to be included in high t mech, treat as reversible ic5h10oh-1+o2<=>ic4h9cho+ho2 3.780e+20 -2.429 3090. !mani added da silva ch3choh+o2<=>ch3cho+ho2 PLOG / 0.001 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.01 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 0.1 1.315E+18 -1.637 838. / !afactor *2.5 PLOG / 1.0 1.315E+18 -1.638 839. / !afactor *2.5 PLOG / 10.0 3.850E+18 -1.771 1120. / !afactor *2.5 PLOG / 100.0 1.512E+20 -2.429 3090. / !afactor /2.5 ! PLOG / 0.01 5.260E+17 -1.637 838. / ! PLOG / 0.1 5.260E+17 -1.637 838. / ! PLOG / 1.0 5.280E+17 -1.638 839. / ! PLOG / 10.0 1.540E+18 -1.771 1120. / ! PLOG / 20.0 1.027E+18 -1.771 1120. / !afactor /1.5 ! PLOG / 40.0 1.890E+20 -2.429 3090. / !afactor /2 ! PLOG / 100.0 1.890E+20 -2.429 3090. / !afactor /2 ! ! !class 31 miscellaneous reactions ! !iso-pentanal ! ic4h9cho+o2<=>ic4h9co+ho2 1.200e+05 2.50 3.756e+04 ic4h9cho+oh<=>ic4h9co+h2o 2.000e+06 1.80 -1.300e+03 ic4h9cho+h<=>ic4h9co+h2 4.140e+09 1.12 2.320e+03 ic4h9cho+o<=>ic4h9co+oh 5.940e+12 0.00 1.868e+03 ic4h9cho+ho2<=>ic4h9co+h2o2 4.090e+04 2.50 1.020e+04 ic4h9cho+ch3<=>ic4h9co+ch4 2.890e-03 4.62 3.210e+03 ic4h9cho+ch3o<=>ic4h9co+ch3oh 1.000e+12 0.00 3.300e+03 ic4h9cho+ch3o2<=>ic4h9co+ch3o2h 4.090e+04 2.50 1.020e+04 ! ic4h9cho+oh<=>ic4h8cho-1+h2o 5.270e+09 0.97 1.586e+03 ic4h9cho+oh<=>ic4h8cho-2+h2o 4.670e+07 1.61 -3.500e+01 ic4h9cho+oh<=>ic4h8cho-3+h2o 4.670e+07 1.61 -3.500e+01 ! ic4h9cho+ho2<=>ic4h8cho-1+h2o2 2.379e+04 2.55 1.649e+04 ic4h9cho+ho2<=>ic4h8cho-2+h2o2 9.640e+03 2.60 1.391e+04 ic4h9cho+ho2<=>ic4h8cho-3+h2o2 9.640e+03 2.60 1.391e+04 ! ic4h9co<=>ic4h9+co 1.000e+11 0.00 9.600e+03 ! ch3+sc3h5cho<=>ic4h8cho-1 1.230e+11 0.00 7.800e+03 ic4h8+hco<=>ic4h8cho-2 1.000e+11 0.00 6.000e+03 c3h6+ch2cho<=>ic4h8cho-3 1.000e+11 0.00 6.000e+03 ch3+ac3h5cho<=>ic4h8cho-3 1.000e+11 0.00 6.000e+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 ! !! c5 submechanisms cc5h10 + oh <=> ic5h9+h2o 1.000e+12 0.00 1.230e+03 rev / 5.000e+12 0.00 2.650e+04 / cc5h10+h <=> ic5h9+h2 1.000e+12 0.00 3.800e+03 rev / 1.000e+12 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 / cc5h10+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 / cc5h10 <=> ch3+c4h72-2 1.000e+16 0.00 7.100e+04 rev/ 1.000e+13 0.00 0.000e+00 / ! 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 / ! ! 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 / ! ! !********** propanol radical reactions********* c3h6oh-3<=>c2h4+ch2oh 4.231e+10 1.035 2.817e+04 !butanol c4h8oh-3<=>c3h6+ch2oh c3h6oh-3<=>h+c3h5oh 1.432e+12 0.225 3.634e+04 !butanol c4h8oh-2<=>h+c4h7oh2-1 c3h6oh<=>nc3h7o 5.32e-10 6.204 6.710e+03 !5m ! end