!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 ! !version:nc5_54.8.inp !authors:w. k. metcalfe, s. burke, h. j. curran !21/09/2011 !added new ketene thermochemistry ! !added detailed thermo for c2h2oh ! !wkm 06/07/2011 !new species added:c2h3oh,o2ch2cho,ho2ch2co !new thermo for ch3o2, very important for low T, high P CH4 ignition !07/03/2011 !corrected editing problems causing CHEMREV to crash. !Updated thermo from Burcat database when species was available !retained previous values for ch3o2 and c2h5 !c3h5-a, c3h5-a, c3h5-p from laskin's butadiene paper !22/03/2011 !previous thermo for c3h5o, c2h3cho, c2h3co. Burcat's values caused overprediction of reactivity !for propene FR. This is a problem with the kinetics which will be examined later thermo 300.000 1000.000 5000.000 h l 6/94h 1 0 0 0g 200.000 6000.00 1000.00 1 0.25000000e+01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.25473660e+05-0.44668285e+00 0.25000000e+01 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.25473660e+05-0.44668285e+00 0.26219035e+05 4 h2 tpis78h 2 0 0 0g 200.000 6000.00 1000.00 1 2.93286575e+00 8.26608026e-04-1.46402364e-07 1.54100414e-11-6.88804800e-16 2 -8.13065581e+02-1.02432865e+00 2.34433112e+00 7.98052075e-03-1.94781510e-05 3 2.01572094e-08-7.37611761e-12-9.17935173e+02 6.83010238e-01 0.00000000e+00 4 o l 1/90o 1 0 0 0g 200.000 6000.00 1000.00 1 2.54363697e+00-2.73162486e-05-4.19029520e-09 4.95481845e-12-4.79553694e-16 2 2.92260120e+04 4.92229457e+00 3.16826710e+00-3.27931884e-03 6.64306396e-06 3 -6.12806624e-09 2.11265971e-12 2.91222592e+04 2.05193346e+00 2.99687009e+04 4 o2 rus 89o 2 0 0 0g 200.000 6000.00 1000.00 1 3.66096065e+00 6.56365811e-04-1.41149627e-07 2.05797935e-11-1.29913436e-15 2 -1.21597718e+03 3.41536279e+00 3.78245636e+00-2.99673416e-03 9.84730201e-06 3 -9.68129509e-09 3.24372837e-12-1.06394356e+03 3.65767573e+00 0.00000000e+00 4 oh iu3/03o 1 h 1 0 0g 200.000 6000.00 1000.00 1 2.83853033e+00 1.10741289e-03-2.94000209e-07 4.20698729e-11-2.42289890e-15 2 3.69780808e+03 5.84494652e+00 3.99198424e+00-2.40106655e-03 4.61664033e-06 3 -3.87916306e-09 1.36319502e-12 3.36889836e+03-1.03998477e-01 4.48613328e+03 4 oh* 121286o 1h 1 g 0300.00 5000.00 1000.00 1 0.02882730e+02 0.10139743e-02-0.02276877e-05 0.02174683e-09-0.05126305e-14 2 5.02650000e+04 0.05595712e+02 0.03637266e+02 0.01850910e-02-0.16761646e-05 3 0.02387202e-07-0.08431442e-11 5.00213000e+04 0.13588605e+01 4 h2o l 5/89h 2 o 1 0 0g 200.000 6000.00 1000.00 1 0.26770389e+01 0.29731816e-02-0.77376889e-06 0.94433514e-10-0.42689991e-14 2 -0.29885894e+05 0.68825500e+01 0.41986352e+01-0.20364017e-02 0.65203416e-05 3 -0.54879269e-08 0.17719680e-11-0.30293726e+05-0.84900901e+00-0.29084817e+05 4 n2 g 8/02n 2 0 0 0g 200.000 6000.00 1000.00 1 2.95257637e+00 1.39690040e-03-4.92631603e-07 7.86010195e-11-4.60755204e-15 2 -9.23948688e+02 5.87188762e+00 3.53100528e+00-1.23660988e-04-5.02999433e-07 3 2.43530612e-09-1.40881235e-12-1.04697628e+03 2.96747038e+00 0.00000000e+00 4 ho2 t 1/09h 1o 2 0 0g 200.000 5000.00 1000.00 1 4.17228741e+00 1.88117627e-03-3.46277286e-07 1.94657549e-11 1.76256905e-16 2 3.10206839e+01 2.95767672e+00 4.30179807e+00-4.74912097e-03 2.11582905e-05 3 -2.42763914e-08 9.29225225e-12 2.64018485e+02 3.71666220e+00 1.47886045e+03 4 h2o2 t 8/03h 2o 2 0 0g 200.000 6000.00 1000.00 1 4.57977305e+00 4.05326003e-03-1.29844730e-06 1.98211400e-10-1.13968792e-14 2 -1.80071775e+04 6.64970694e-01 4.31515149e+00-8.47390622e-04 1.76404323e-05 3 -2.26762944e-08 9.08950158e-12-1.77067437e+04 3.27373319e+00-1.63425145e+04 4 ar g 5/97ar 1 0 0 0g 200.000 6000.00 1000.00 1 2.50000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -7.45375000e+02 4.37967491e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-7.45375000e+02 4.37967491e+00 0.00000000e+00 4 ch2o g 8/88h 2 c 1 o 1 0 g 200.000 6000.00 1000.00 1 3.16952665e+00 6.19320560e-03-2.25056366e-06 3.65975660e-10-2.20149458e-14 2 -1.44922756e+04 6.04207898e+00 4.79372312e+00-9.90833322e-03 3.73219990e-05 3 -3.79285237e-08 1.31772641e-11-1.43227879e+04 6.02798058e-01-1.30729291e+04 4 co rus 79c 1o 1 0 0g 200.000 6000.00 1000.00 1 0.30484859e+01 0.13517281e-02-0.48579405e-06 0.78853644e-10-0.46980746e-14 2 -0.14266117e+05 0.60170977e+01 0.35795335e+01-0.61035369e-03 0.10168143e-05 3 0.90700586e-09-0.90442449e-12-0.14344086e+05 0.35084093e+01-0.13293628e+05 4 co2 l 7/88c 1o 2 0 0g 200.000 6000.00 1000.00 1 0.46365111e+01 0.27414569e-02-0.99589759e-06 0.16038666e-09-0.91619857e-14 2 -0.49024904e+05-0.19348955e+01 0.23568130e+01 0.89841299e-02-0.71220632e-05 3 0.24573008e-08-0.14288548e-12-0.48371971e+05 0.99009035e+01-0.47328105e+05 4 hco t 5/03c 1 h 1 o 1 0 g 200.000 6000.00 1000.00 1 3.92001542e+00 2.52279324e-03-6.71004164e-07 1.05615948e-10-7.43798261e-15 2 3.65342928e+03 3.58077056e+00 4.23754610e+00-3.32075257e-03 1.40030264e-05 3 -1.34239995e-08 4.37416208e-12 3.87241185e+03 3.30834869e+00 5.08749163e+03 4 ho2cho 6/26/95 thermc 1h 2o 3 0g 300.000 5000.000 1378.00 21 9.87503878e+00 4.64663708e-03-1.67230522e-06 2.68624413e-10-1.59595232e-14 2 -3.80502496e+04-2.24939155e+01 2.42464726e+00 2.19706380e-02-1.68705546e-05 3 6.25612194e-09-9.11645843e-13-3.54828006e+04 1.75027796e+01 4 o2cho 6/26/95 thermc 1h 1o 3 0g 300.000 5000.000 1368.00 11 7.24075139e+00 4.63312951e-03-1.63693995e-06 2.59706693e-10-1.52964699e-14 2 -1.87027618e+04-6.49547212e+00 3.96059309e+00 1.06002279e-02-5.25713351e-06 3 1.01716726e-09-2.87487602e-14-1.73599383e+04 1.17807483e+01 4 hocho l 8/88h 2c 1o 2 0g 200.000 6000.00 1000.00 1 0.46138316e+01 0.64496364e-02-0.22908251e-05 0.36716047e-09-0.21873675e-13 2 -0.47514850e+05 0.84788383e+00 0.38983616e+01-0.35587795e-02 0.35520538e-04 3 -0.43849959e-07 0.17107769e-10-0.46770609e+05 0.73495397e+01-0.45531246e+05 4 hoco t05/06h 1 c 1 o 2 0 g 200.000 6000.00 1000.00 1 5.39206152e+00 4.11221455e-03-1.48194900e-06 2.39875460e-10-1.43903104e-14 2 -2.38606717e+04-2.23529091e+00 2.92207919e+00 7.62453859e-03 3.29884437e-06 3 -1.07135205e-08 5.11587057e-12-2.30281524e+04 1.12925886e+01-2.18076591e+04 4 ocho atct/ac 1 o 2 h 1 0 g 200.000 6000.000 1000.00 1 4.14394211e+00 5.59738818e-03-1.99794019e-06 3.16179193e-10-1.85614483e-14 2 -1.72459887e+04 5.07778617e+00 4.68825921e+00-4.14871834e-03 2.55066010e-05 3 -2.84473900e-08 1.04422559e-11-1.69867041e+04 4.28426480e+00-1.55992356e+04 4 hoch2o2h 4/ 9/98 thermc 1h 4o 3 0g 300.000 5000.000 1422.000 31 1.16303827e+01 7.15133688e-03-2.39035030e-06 3.65772791e-10-2.10199524e-14 2 -4.31079242e+04-3.24276725e+01 1.85716693e+00 3.23153132e-02-2.69928902e-05 3 1.11694484e-08-1.81284103e-12-4.00314471e+04 1.90917729e+01 4 hoch2o2 4/ 9/98 thermc 1h 3o 3 0g 300.000 5000.000 1412.000 21 9.04545938e+00 7.15223373e-03-2.37005676e-06 3.60083481e-10-2.05750228e-14 2 -2.49414886e+04-1.74210530e+01 2.85441621e+00 2.33663535e-02-1.88115990e-05 3 7.96709515e-09-1.36346618e-12-2.29866196e+04 1.51730565e+01 4 och2o2h 4/ 9/98 thermc 1h 3o 3 0g 300.000 5000.000 1420.000 21 1.15398246e+01 5.34291432e-03-1.81878917e-06 2.81968625e-10-1.63584348e-14 2 -1.68237489e+04-3.20700633e+01 1.93823075e+00 3.01465730e-02-2.61053152e-05 3 1.09463562e-08-1.78312692e-12-1.38166625e+04 1.85042002e+01 4 hoch2o 2/16/99 thermc 1h 3o 2 0g 300.000 5000.000 1452.000 11 6.39521515e+00 7.43673043e-03-2.50422354e-06 3.84879712e-10-2.21778689e-14 2 -2.41108840e+04-6.63865583e+00 4.11183145e+00 7.53850697e-03 3.77337370e-06 3 -5.38746005e-09 1.45615887e-12-2.28023001e+04 7.46807254e+00 4 ch3oh t06/02c 1h 4 o 1 0 g 200.000 6000.00 1000.00 1 3.52726795e+00 1.03178783e-02-3.62892944e-06 5.77448016e-10-3.42182632e-14 2 -2.60028834e+04 5.16758693e+00 5.65851051e+00-1.62983419e-02 6.91938156e-05 3 -7.58372926e-08 2.80427550e-11-2.56119736e+04-8.97330508e-01-2.41746056e+04 4 ch2oh iu2/03c 1 h 3 o 1 0 g 200.000 6000.00 1000.00 1 5.09314370e+00 5.94761260e-03-2.06497460e-06 3.23008173e-10-1.88125902e-14 2 -4.03409640e+03-1.84691493e+00 4.47834367e+00-1.35070310e-03 2.78484980e-05 3 -3.64869060e-08 1.47907450e-11-3.50072890e+03 3.30913500e+00-2.04462770e+03 4 ch3o iu1/03c 1 h 3 o 1 0 g 200.000 6000.00 1000.00 1 4.75779238e+00 7.44142474e-03-2.69705176e-06 4.38090504e-10-2.63537098e-14 2 3.78111940e+02-1.96680028e+00 3.71180502e+00-2.80463306e-03 3.76550971e-05 3 -4.73072089e-08 1.86588420e-11 1.29569760e+03 6.57240864e+00 2.52571660e+03 4 ch3o2h a 7/05c 1 h 4 o 2 0 g 200.000 6000.00 1000.00 1 7.76538058e+00 8.61499712e-03-2.98006935e-06 4.68638071e-10-2.75339255e-14 2 -1.82979984e+04-1.43992663e+01 2.90540897e+00 1.74994735e-02 5.28243630e-06 3 -2.52827275e-08 1.34368212e-11-1.68894632e+04 1.13741987e+01-1.52423685e+04 4 !ch3o2 t04/10c 1 h 3 o 2 0 g 200.000 6000.00 1000.00 1 ! 5.55530486e+00 9.12236137e-03-3.23851661e-06 5.18713798e-10-3.08834151e-14 2 !-1.03569402e+03-3.99158547e+00 4.97169544e+00-5.29356557e-03 4.77334149e-05 3 !-5.77065617e-08 2.22219969e-11-1.29022161e+02 2.81501182e+00 1.43618036e+03 4 !ch3o2 1/14/ 5 thermc 1h 3o 2 0g 300.000 5000.000 1365.000 11 ! 6.34718801e+00 7.92089358e-03-2.76601913e-06 4.35360631e-10-2.54984762e-14 2 !-1.83436055e+03-7.42552545e+00 3.80497590e+00 9.80784660e-03-3.90940624e-07 3 !-2.23072602e-09 6.43310820e-13-4.55625796e+02 7.81789100e+00 4 !Hf from JMS, thermo from wkm: ub3lyp tight, ultrafine, unscaled ch3o2 h 3c 1o 2 0g 300.00 5000.00 1000.00 1 4.80390863e+00 9.95844638e-03-3.85301026e-06 6.84740497e-10-4.58402955e-14 2 -7.47135460e+02 1.45281400e+00 3.62497097e+00 3.59397933e-03 2.26538097e-05 3 -2.95391947e-08 1.11977570e-11 7.93040410e+01 9.96382194e+00 4 ch2o2h 1/14/ 5 thermc 1h 3o 2 0g 300.000 5000.000 1357.000 21 9.10784249e+00 5.27260434e-03-1.88170543e-06 3.00561364e-10-1.77865959e-14 2 3.77440183e+03-2.11741044e+01 4.47228333e+00 1.33401095e-02-5.92919725e-06 3 4.44481025e-10 2.12699899e-13 5.67413711e+03 4.72608208e+00 4 ch4 g 8/99c 1 h 4 0 0 g 200.000 6000.00 1000.00 1 1.65326226e+00 1.00263099e-02-3.31661238e-06 5.36483138e-10-3.14696758e-14 2 -1.00095936e+04 9.90506283e+00 5.14911468e+00-1.36622009e-02 4.91453921e-05 3 -4.84246767e-08 1.66603441e-11-1.02465983e+04-4.63848842e+00-8.97226656e+03 4 ch3 iu0702c 1 h 3 0 0 g 200.000 6000.00 1000.00 1 0.29781206e+01 0.57978520e-02-0.19755800e-05 0.30729790e-09-0.17917416e-13 2 0.16509513e+05 0.47224799e+01 0.36571797e+01 0.21265979e-02 0.54583883e-05 3 -0.66181003e-08 0.24657074e-11 0.16422716e+05 0.16735354e+01 0.17643935e+05 4 ch2 iu3/03c 1 h 2 0 0 g 200.000 6000.00 1000.00 1 3.14631886e+00 3.03671259e-03-9.96474439e-07 1.50483580e-10-8.57335515e-15 2 4.60412605e+04 4.72341711e+00 3.71757846e+00 1.27391260e-03 2.17347251e-06 3 -3.48858500e-09 1.65208866e-12 4.58723866e+04 1.75297945e+00 4.70504920e+04 4 ch2(s) iu6/03c 1 h 2 0 0 g 200.000 6000.00 1000.00 1 3.13501686e+00 2.89593926e-03-8.16668090e-07 1.13572697e-10-6.36262835e-15 2 5.05040504e+04 4.06030621e+00 4.19331325e+00-2.33105184e-03 8.15676451e-06 3 -6.62985981e-09 1.93233199e-12 5.03662246e+04-7.46734310e-01 5.15727280e+04 4 ch iu3/03c 1 h 1 0 0 g 200.000 6000.00 1000.00 1 0.25209369e+01 0.17653639e-02-0.46147660e-06 0.59289675e-10-0.33474501e-14 2 0.70946769e+05 0.74051829e+01 0.34897583e+01 0.32432160e-03-0.16899751e-05 3 0.31628420e-08-0.14061803e-11 0.70612646e+05 0.20842841e+01 0.71658188e+05 4 ch* 073003c 1h 1 g 0300.00 5000.00 1000.00 1 0.02196223e+02 0.02340381e-01-0.07058201e-05 0.09007582e-09-0.03855040e-13 2 0.10419559e+06 0.09178373e+02 0.03200202e+02 0.02072875e-01-0.05134431e-04 3 0.05733890e-07-0.01955533e-10 0.10393714e+06 0.03331587e+02 4 c l 7/88c 1 0 0 0g 200.000 6000.00 1000.00 1 0.26055830e+01-0.19593434e-03 0.10673722e-06-0.16423940e-10 0.81870580e-15 2 0.85411742e+05 0.41923868e+01 0.25542395e+01-0.32153772e-03 0.73379223e-06 3 -0.73223487e-09 0.26652144e-12 0.85442681e+05 0.45313085e+01 0.86195097e+05 4 c2h6 g 8/88c 2h 6 0 0g 200.000 6000.00 1000.00 1 4.04666411e+00 1.53538802e-02-5.47039485e-06 8.77826544e-10-5.23167531e-14 2 -1.24473499e+04-9.68698313e-01 4.29142572e+00-5.50154901e-03 5.99438458e-05 3 -7.08466469e-08 2.68685836e-11-1.15222056e+04 2.66678994e+00-1.00849652e+04 4 !c2h5 iu1/07c 2 h 5 0 0 g 200.000 6000.00 1000.00 1 ! 4.32195633e+00 1.23930542e-02-4.39680960e-06 7.03519917e-10-4.18435239e-14 2 ! 1.21759475e+04 1.71103809e-01 4.24185905e+00-3.56905235e-03 4.82667202e-05 3 !-5.85401009e-08 2.25804514e-11 1.29690344e+04 4.44703782e+00 1.43965189e+04 4 c2h5 8/ 4/ 4 thermc 2h 5 0 0g 300.000 5000.000 1387.000 11 5.88784390e+00 1.03076793e-02-3.46844396e-06 5.32499257e-10-3.06512651e-14 2 1.15065499e+04-8.49651771e+00 1.32730217e+00 1.76656753e-02-6.14926558e-06 3 -3.01143466e-10 4.38617775e-13 1.34284028e+04 1.71789216e+01 4 c2h4 g 1/00c 2 h 4 0 0 g 200.000 6000.00 1000.00 1 3.99182724e+00 1.04833908e-02-3.71721342e-06 5.94628366e-10-3.53630386e-14 2 4.26865851e+03-2.69081762e-01 3.95920063e+00-7.57051373e-03 5.70989993e-05 3 -6.91588352e-08 2.69884190e-11 5.08977598e+03 4.09730213e+00 6.31426266e+03 4 c2h3 atct/ac 2 h 3 0 0 g 200.000 6000.00 1000.00 1 4.15026763e+00 7.54021341e-03-2.62997847e-06 4.15974048e-10-2.45407509e-14 2 3.38566380e+04 1.72812235e+00 3.36377642e+00 2.65765722e-04 2.79620704e-05 3 -3.72986942e-08 1.51590176e-11 3.44749589e+04 7.91510092e+00 3.56701718e+04 4 c2h2 g 1/91c 2 h 2 0 0 g 200.000 6000.00 1000.00 1 4.65878489e+00 4.88396667e-03-1.60828888e-06 2.46974544e-10-1.38605959e-14 2 2.57594042e+04-3.99838194e+00 8.08679682e-01 2.33615762e-02-3.55172234e-05 3 2.80152958e-08-8.50075165e-12 2.64289808e+04 1.39396761e+01 2.74459950e+04 4 c2h t 5/10c 2 h 1 0 0 g 200.000 6000.00 1000.00 1 3.66270248e+00 3.82492252e-03-1.36632500e-06 2.13455040e-10-1.23216848e-14 2 6.71683790e+04 3.92205792e+00 2.89867676e+00 1.32988489e-02-2.80733327e-05 3 2.89484755e-08-1.07502351e-11 6.70616050e+04 6.18547632e+00 6.83210436e+04 4 ch3cho l 8/88c 2 h 4 o 1 0 g 200.000 6000.00 1000.00 1 0.54041108e+01 0.11723059e-01-0.42263137e-05 0.68372451e-09-0.40984863e-13 2 -0.22593122e+05-0.34807917e+01 0.47294595e+01-0.31932858e-02 0.47534921e-04 3 -0.57458611e-07 0.21931112e-10-0.21572878e+05 0.41030159e+01-0.19987949e+05 4 ch3co iu2/03c 2 h 3 o 1 0 g 200.000 6000.00 1000.00 1 0.53137165e+01 0.91737793e-02-0.33220386e-05 0.53947456e-09-0.32452368e-13 2 -0.36450414e+04-0.16757558e+01 0.40358705e+01 0.87729487e-03 0.30710010e-04 3 -0.39247565e-07 0.15296869e-10-0.26820738e+04 0.78617682e+01-0.12388039e+04 4 ch2cho t03/10c 2 h 3 o 1 0 g 200.000 6000.00 1000.00 1 6.53928338e+00 7.80238629e-03-2.76413612e-06 4.42098906e-10-2.62954290e-14 2 -1.18858659e+03-8.72091393e+00 2.79502600e+00 1.01099472e-02 1.61750645e-05 3 -3.10303145e-08 1.39436139e-11 1.62944975e+02 1.23646657e+01 1.53380440e+03 4 !ch2co g 4/02c 2 h 2 o 1 0 g 200.000 6000.00 1000.00 1 ! 5.75871449e+00 6.35124053e-03-2.25955361e-06 3.62321512e-10-2.15855515e-14 2 !-8.08533464e+03-4.96490444e+00 2.13241136e+00 1.81319455e-02-1.74093315e-05 3 ! 9.35336040e-09-2.01724844e-12-7.14808520e+03 1.33807969e+01-5.84267744e+03 4 !Hf from Simmie&Metcalfe 2008, S and Cp from WKM b3lyp calculation ch2co h 2c 2o 1 0g 300.00 5000.00 1000.00 1 5.35869367e+00 6.95641586e-03-2.64802637e-06 4.65067592e-10-3.08641820e-14 2 -7.90294013e+03-3.98525731e+00 1.81422511e+00 1.99008590e-02-2.21416008e-05 3 1.45028521e-08-3.98877068e-12-7.05394926e+03 1.36079359e+01 4 hcco t 4/09h 1 c 2 o 1 0 g 200.000 6000.00 1000.00 1 5.91479333e+00 3.71408730e-03-1.30137010e-06 2.06473345e-10-1.21476759e-14 2 1.93596301e+04-5.50567269e+00 1.87607969e+00 2.21205418e-02-3.58869325e-05 3 3.05402541e-08-1.01281069e-11 2.01633840e+04 1.36968290e+01 2.14444387e+04 4 hccoh t12/09c 2 h 2 o 1 0 g 200.000 6000.00 1000.00 1 6.37509678e+00 5.49429011e-03-1.88136576e-06 2.93803536e-10-1.71771901e-14 2 8.93277676e+03-8.24498007e+00 2.05541154e+00 2.52003372e-02-3.80821654e-05 3 3.09890632e-08-9.89799902e-12 9.76872113e+03 1.22271534e+01 1.12217316e+04 4 ch3co3h 6/26/95 thermc 2h 4o 3 0g 300.000 5000.000 1391.000 31 1.25060485e+01 9.47789695e-03-3.30402246e-06 5.19630793e-10-3.04233568e-14 2 -4.59856703e+04-3.79195947e+01 2.24135876e+00 3.37963514e-02-2.53887482e-05 3 9.67583587e-09-1.49266157e-12-4.24677831e+04 1.70668133e+01 4 ch3co3 4/ 3/ 0 thermc 2h 3o 3 0g 300.000 5000.000 1391.000 21 1.12522498e+01 8.33652672e-03-2.89014530e-06 4.52781734e-10-2.64354456e-14 2 -2.60238584e+04-2.96370457e+01 3.60373432e+00 2.70080341e-02-2.08293438e-05 3 8.50541104e-09-1.43846110e-12-2.34205171e+04 1.12014914e+01 4 ch3co2 2/14/95 thermc 2h 3o 2 0g 300.000 5000.000 1395.000 11 8.54059736e+00 8.32951214e-03-2.84722010e-06 4.41927196e-10-2.56373394e-14 2 -2.97290678e+04-2.03883545e+01 1.37440768e+00 2.49115604e-02-1.74308894e-05 3 6.24799508e-09-9.09516835e-13-2.72330150e+04 1.81405454e+01 4 c2h5oh l 8/88c 2 h 6 o 1 0 g 200.000 6000.00 1000.00 1 0.65624365e+01 0.15204222e-01-0.53896795e-05 0.86225011e-09-0.51289787e-13 2 -0.31525621e+05-0.94730202e+01 0.48586957e+01-0.37401726e-02 0.69555378e-04 3 -0.88654796e-07 0.35168835e-10-0.29996132e+05 0.48018545e+01-0.28257829e+05 4 pc2h4oh t12/01c 2 h 5 o 1 0 g 200.000 6000.00 1000.00 1 7.02824536e+00 1.20037746e-02-4.21306455e-06 6.69471213e-10-3.96371893e-14 2 -5.92493321e+03-9.40355948e+00 4.47893092e+00 7.59782301e-03 2.81794908e-05 3 -4.26953487e-08 1.78878934e-11-4.71446256e+03 6.38921206e+00-2.86833500e+03 4 sc2h4oh t10/04c 2 h 5 o 1 0 g 200.000 6000.00 1000.00 1 6.35842302e+00 1.24356276e-02-4.33096839e-06 6.84530381e-10-4.03713238e-14 2 -9.37900432e+03-6.05106112e+00 4.22283250e+00 5.12174798e-03 3.48386522e-05 3 -4.91943637e-08 2.01183723e-11-8.20503939e+03 8.01675700e+00-6.49827831e+03 4 c2h5o iu2/03c 2 h 5 o 1 0 g 200.000 6000.00 1000.00 1 0.66889982e+01 0.13125676e-01-0.47038840e-05 0.75858552e-09-0.45413306e-13 2 -0.47457832e+04-0.96983755e+01 0.43074268e+01 0.64147205e-02 0.31139714e-04 3 -0.43314083e-07 0.17276184e-10-0.34027524e+04 0.59025837e+01-0.16357022e+04 4 o2c2h4oh 2/14/95 thermc 2h 5o 3 0g 300.000 5000.000 1392.000 31 1.07432659e+01 1.30957787e-02-4.45370088e-06 6.88548738e-10-3.98230113e-14 2 -2.55911274e+04-2.33254953e+01 4.11839445e+00 2.72240632e-02-1.60824430e-05 3 5.17033408e-09-7.31610168e-13-2.30857785e+04 1.28482112e+01 4 c2h5o2h 1/14/ 5 thermc 2h 6o 2 0g 300.000 5000.000 1391.000 31 1.12305737e+01 1.20482120e-02-3.96730201e-06 6.00754632e-10-3.42657803e-14 2 -2.47977531e+04-3.25607232e+01 1.57329011e+00 3.52379996e-02-2.53203993e-05 3 9.56802476e-09-1.48167375e-12-2.15278368e+04 1.90472032e+01 4 c2h5o2 t10/10c 2 h 5 o 2 0 g 200.000 6000.00 1000.00 1 8.88872432e+00 1.35833179e-02-4.91116949e-06 7.92343362e-10-4.73525704e-14 2 -7.44107388e+03-1.90789836e+01 4.50099327e+00 6.87965342e-03 4.74143971e-05 3 -6.92287127e-08 2.87395324e-11-5.39547911e+03 7.91490068e+00-3.45206633e+03 4 c2h4o2h 1/14/ 5 thermc 2h 5o 2 0g 300.000 5000.000 1397.000 31 1.05228954e+01 9.48091381e-03-3.55727763e-06 6.41445994e-10-4.21232247e-14 2 1.55718322e+03-2.31413632e+01 3.46916874e+00 2.71188626e-02-2.08022550e-05 3 8.44284845e-09-1.40756215e-12 3.89688270e+03 1.43400726e+01 4 ch3cho2h 1/14/ 5 thermc 2h 5o 2 0g 300.000 5000.000 1385.000 31 1.06284708e+01 1.01662327e-02-3.34915963e-06 5.07257146e-10-2.89352540e-14 2 -2.15391230e+03-2.60363030e+01 3.91433011e+00 2.52722102e-02-1.62112291e-05 3 5.45591592e-09-7.57965290e-13 2.38044573e+02 1.02327238e+01 4 c2h4o1-2 l 8/88c 2 h 4 o 1 0 g 200.000 6000.00 1000.00 1 0.54887641e+01 0.12046190e-01-0.43336931e-05 0.70028311e-09-0.41949088e-13 2 -0.91804251e+04-0.70799605e+01 0.37590532e+01-0.94412180e-02 0.80309721e-04 3 -0.10080788e-06 0.40039921e-10-0.75608143e+04 0.78497475e+01-0.63304657e+04 4 c2h3o1-2 a 1/05c 2 h 3 o 1 0 g 200.000 6000.00 1000.00 1 5.60158035e+00 9.17613962e-03-3.28028902e-06 5.27903888e-10-3.15362241e-14 2 1.71446252e+04-5.47228512e+00 3.58349017e+00-6.02275805e-03 6.32426867e-05 3 -8.18540707e-08 3.30444505e-11 1.85681353e+04 9.59725926e+00 1.97814471e+04 4 ch3coch3 atct ac 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 7.29796974e+00 1.75656913e-02-6.31678065e-06 1.02025553e-09-6.10903592e-14 2 -2.95368927e+04-1.27591704e+01 5.55638920e+00-2.83863547e-03 7.05722951e-05 3 -8.78130984e-08 3.40290951e-11-2.78325393e+04 2.31960221e+00-2.58360384e+04 4 ch3coch2 a10/04c 3 h 5 o 1 0 g 200.000 6000.00 1000.00 1 7.54410697e+00 1.43443222e-02-5.08381081e-06 8.13200521e-10-4.83673315e-14 2 -7.48672286e+03-1.14792587e+01 4.70187196e+00 5.51653762e-03 4.27505858e-05 3 -5.94680816e-08 2.40685378e-11-5.92845491e+03 7.12932590e+00-4.00985747e+03 4 ch3coch2o2 2/14/95 c 3h 5o 3 0g 300.000 5000.000 1379.00 31 1.27690342e+01 1.42554828e-02-4.92821461e-06 7.70448921e-10-4.49110534e-14 2 -2.34798669e+04-3.27155799e+01 5.95535468e+00 2.70255205e-02-1.37385031e-05 3 3.53735851e-09-4.03922557e-13-2.06679464e+04 5.21436049e+00 4 ch3coch2o2h 2/14/95 c 3h 6o 3 0g 300.000 5000.000 1381.00 41 1.52372810e+01 1.44114651e-02-5.01290009e-06 7.87071229e-10-4.60225784e-14 2 -4.27564444e+04-4.77383784e+01 4.94789761e+00 3.60474432e-02-2.21719933e-05 3 6.98296874e-09-9.21269260e-13-3.88687178e+04 8.49926130e+00 4 ch3coch2o 4/ 3/ 0 thermc 3h 5o 2 0g 300.000 5000.000 1370.000 21 1.14637586e+01 1.32124342e-02-4.56580495e-06 7.13897538e-10-4.16281047e-14 2 -2.23833017e+04-3.15127868e+01 3.72927689e+00 2.63943697e-02-1.09796486e-05 3 8.58185303e-10 3.39474590e-13-1.91551565e+04 1.18505335e+01 4 !c2h3cho t11/10c 3 h 4 o 1 0 g 200.000 6000.00 1000.00 1 ! 8.20654919e+00 1.28492916e-02-4.64285331e-06 7.51738738e-10-4.51298116e-14 2 !-1.18838341e+04-1.49881933e+01 4.69868861e+00 4.99965957e-03 4.38587397e-05 3 !-6.12883900e-08 2.48508985e-11-1.00875286e+04 7.29812046e+00-8.18629119e+03 4 c2h3cho 6/26/95 thermc 3h 4o 1 0g 300.000 5000.000 1393.000 11 1.04184959e+01 9.48963321e-03-3.29310529e-06 5.16279203e-10-3.01587291e-14 2 -1.49630281e+04-3.07235061e+01 2.92355162e-01 3.54321417e-02-2.94936324e-05 3 1.28100124e-08-2.26144108e-12-1.16521584e+04 2.28878280e+01 4 !c2h3co a10/04c 3 h 3 o 1 0 g 200.000 6000.00 1000.00 1 ! 6.90703955e+00 1.02341927e-02-3.65649593e-06 5.87914100e-10-3.51359226e-14 2 ! 7.62708561e+03-7.29856114e+00 4.11237192e+00 5.05829116e-03 3.17832265e-05 3 !-4.55489258e-08 1.86325507e-11 8.99713585e+03 1.01743843e+01 1.06476509e+04 4 c2h3co 4/ 3/ 0 thermc 3h 3o 1 0g 300.000 5000.000 1402.000 01 9.37467676e+00 7.91296900e-03-2.67198280e-06 4.11115430e-10-2.36978981e-14 2 1.92969514e+03-2.40892696e+01 1.36242013e+00 3.15273972e-02-3.00218935e-05 3 1.48167112e-08-2.87971530e-12 4.25770215e+03 1.72626546e+01 4 c2h5cho t05/10c 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 7.44085690e+00 1.77301764e-02-6.34081568e-06 1.02040803e-09-6.09461714e-14 2 -2.60055814e+04-1.44195446e+01 4.24529681e+00 6.68296706e-03 4.93337933e-05 3 -6.71986124e-08 2.67262347e-11-2.41473007e+04 6.90738560e+00-2.22688471e+04 4 c2h5co a10/04c 3 h 5 o 1 0 g 200.000 6000.00 1000.00 1 6.52325448e+00 1.54211952e-02-5.50898157e-06 8.85889862e-10-5.28846399e-14 2 -7.19631634e+03-5.19862218e+00 6.25722402e+00-9.17612184e-03 7.61190493e-05 3 -9.05514997e-08 3.46198215e-11-5.91616484e+03 2.23330599e+00-3.94851891e+03 4 c2h5co a10/04c 3 h 5 o 1 0 g 200.000 6000.00 1000.00 1 6.52325448e+00 1.54211952e-02-5.50898157e-06 8.85889862e-10-5.28846399e-14 2 -7.19631634e+03-5.19862218e+00 6.25722402e+00-9.17612184e-03 7.61190493e-05 3 -9.05514997e-08 3.46198215e-11-5.91616484e+03 2.23330599e+00-3.94851891e+03 4 ch2ch2cho 8/10/ 4 thermc 3h 5o 1 0g 300.000 5000.000 1363.000 21 9.96855598e+00 1.61917946e-02-6.64161740e-06 1.15444520e-09-7.21981790e-14 2 -4.16450354e+03-2.73971573e+01 8.36272659e+00-3.90712606e-03 3.59751257e-05 3 -2.69209237e-08 5.98920261e-12-7.55243244e+02-9.53140102e+00 4 ch3chcho 8/10/ 4 thermc 3h 5o 1 0g 300.000 5000.000 1253.000 21 8.27772090e+00 1.95687188e-02-8.47575089e-06 1.53249728e-09-9.86441542e-14 2 -8.34456062e+03-2.17652483e+01-2.72811212e+00 3.80354483e-02-1.96782132e-05 3 5.09554570e-09-7.28789092e-13-3.51122739e+03 4.04496677e+01 4 !ch3och3 t03/10c 2 h 6 o 1 0 g 200.000 6000.00 1000.00 1 ! 5.64844274e+00 1.63381875e-02-5.86802189e-06 9.46836384e-10-5.66504295e-14 2 !-2.50864216e+04-5.96267354e+00 5.30562273e+00-2.14253958e-03 5.30873092e-05 3 !-6.23146897e-08 2.30730916e-11-2.39655820e+04 7.13244569e-01-2.21221696e+04 4 !HJC ch3och3 1/20/11 c 2h 6o 1 0g 300.000 5000.000 1367.000 21 7.36358679e+00 1.38910153e-02-4.74083257e-06 7.34874498e-10-4.25867578e-14 2 -2.61148074e+04-1.61332876e+01 2.41860337e+00 1.87279640e-02-1.40894592e-06 3 -4.28367822e-09 1.36818123e-12-2.36771735e+04 1.28877967e+01 4 !ch3och2 a10/04c 2 h 5 o 1 0 g 200.000 6000.00 1000.00 1 ! 5.94067593e+00 1.29906358e-02-4.56921036e-06 7.26888932e-10-4.30599587e-14 2 !-2.58503562e+03-4.52841964e+00 4.53195381e+00 7.81884271e-03 1.94968539e-05 3 !-2.74538336e-08 1.06521135e-11-1.70629244e+03 5.06122980e+00 1.15460803e+02 4 !HJC ch3och2 1/20/11 c 2h 5o 1 0g 300.000 5000.000 1389.000 21 6.73134670e+00 1.18022530e-02-4.00104434e-06 6.17227325e-10-3.56435023e-14 2 -3.34933412e+03-9.40782513e+00 2.19172957e+00 1.90390966e-02-6.81450700e-06 3 8.63577609e-11 3.23902492e-13-1.38948253e+03 1.62440756e+01 4 !HJC ch3och2o2 1/20/11 c 2h 5o 3 0g 300.000 5000.000 1399.000 31 1.22024149e+01 1.19225104e-02-4.06624713e-06 6.30079576e-10-3.65065312e-14 2 -2.40327175e+04-3.38665462e+01 1.72101041e+00 3.78155492e-02-2.89668870e-05 3 1.16796117e-08-1.93234479e-12-2.05308597e+04 2.19296296e+01 4 !ch3och2o2 7/20/98 thermc 2h 5o 3 0g 300.000 5000.000 1389.000 31 ! 1.24249729e+01 1.18705986e-02-4.07906532e-06 6.35310809e-10-3.69427867e-14 2 !-2.29679238e+04-3.53740145e+01 2.21029612e+00 3.68877454e-02-2.82561555e-05 3 ! 1.15730533e-08-1.97130470e-12-1.94940940e+04 1.91463601e+01 4 !ch2och2o2h 7/20/98 thermc 2h 5o 3 0g 300.000 5000.000 1393.000 41 ! 1.51191783e+01 9.23718883e-03-3.19127505e-06 4.99114678e-10-2.91162488e-14 2 !-1.84114867e+04-4.85706618e+01 2.52895507e+00 4.24128290e-02-3.73406386e-05 3 ! 1.66639333e-08-2.96443312e-12-1.44293306e+04 1.76899251e+01 4 !HJC ch2och2o2h 1/20/11 c 2h 5o 3 0g 300.000 5000.000 1419.000 41 1.51031233e+01 9.18263324e-03-3.15895361e-06 4.92789411e-10-2.87001298e-14 2 -1.96611854e+04-4.85172618e+01 9.08332173e-01 4.47997444e-02-3.69441578e-05 3 1.48366604e-08-2.32279459e-12-1.50992319e+04 2.66419885e+01 4 !ch3och2o2h 7/20/98 thermc 2h 6o 3 0g 300.000 5000.000 1392.000 41 ! 1.49370964e+01 1.19465829e-02-4.12746359e-06 6.45422590e-10-3.76427939e-14 2 !-4.11001068e+04-4.99552737e+01 1.19855761e+00 4.59060764e-02-3.66252420e-05 3 ! 1.49318970e-08-2.46057445e-12-3.65363161e+04 2.31339904e+01 4 !HJC ch3och2o2h 1/20/11 c 2h 6o 3 0g 300.000 5000.000 1402.000 41 1.46617126e+01 1.20544674e-02-4.13604704e-06 6.43721637e-10-3.74188832e-14 2 -4.18896186e+04-4.81293252e+01 7.37369081e-01 4.67410003e-02-3.73051936e-05 3 1.50735309e-08-2.43781978e-12-3.73260287e+04 2.57932851e+01 4 ch3och2o 2/ 9/96 thermc 2h 5o 2 0g 300.000 5000.000 2012.000 21 8.60261845e+00 1.35772195e-02-4.84661602e-06 7.77766193e-10-4.62633624e-14 2 -2.13762444e+04-1.75775023e+01 3.25889339e+00 2.22146359e-02-7.78556340e-06 3 -2.41484158e-10 4.51914496e-13-1.92377212e+04 1.23680069e+01 4 !o2ch2och2o2h 7/20/98 trmc 2h 5o 5 0g 300.000 5000.000 1402.000 51 ! 1.92038046e+01 1.04394841e-02-3.60582939e-06 5.63792843e-10-3.28807214e-14 2 !-3.79207055e+04-6.51847273e+01 1.99640551e+00 5.83226232e-02-5.53259778e-05 3 ! 2.59810540e-08-4.77141005e-12-3.27628742e+04 2.44215005e+01 4 !HJC o2ch2och2o2h 1/20/11 c 2h 5o 5 0g 300.000 5000.000 1411.000 51 1.96207800e+01 9.96131702e-03-3.41480475e-06 5.31364852e-10-3.08902100e-14 2 -3.98679641e+04-6.72721405e+01-1.22579809e-01 6.64376755e-02-6.55340609e-05 3 3.13441786e-08-5.79042960e-12-3.41530358e+04 3.49112501e+01 4 !ho2ch2ocho 8/31/99 thermc 2h 4o 4 0g 300.000 5000.000 1387.000 41 ! 1.64584298e+01 8.52683511e-03-3.04113500e-06 4.85596908e-10-2.87316334e-14 2 !-6.23959608e+04-5.38924139e+01 3.47935703e+00 4.02952392e-02-3.30109296e-05 3 ! 1.34360117e-08-2.18601580e-12-5.80629934e+04 1.52521392e+01 4 !HJC ho2ch2ocho 1/20/11 c 2h 4o 4 0g 300.000 5000.000 1428.000 41 1.78528337e+01 7.54042388e-03-2.74895624e-06 4.45343367e-10-2.66154007e-14 2 -6.41380252e+04-6.47357373e+01 5.15432996e-01 4.76081860e-02-3.63877925e-05 3 1.24225089e-08-1.50813145e-12-5.82730214e+04 2.81992694e+01 4 !och2ocho 4/ 9/98 thermc 2h 3o 3 0g 300.000 5000.000 1475.000 21 ! 1.20233916e+01 8.11262659e-03-2.91356462e-06 4.67340384e-10-2.77375525e-14 2 !-4.33647231e+04-3.33691809e+01 5.19690837e+00 1.58839723e-02 3.53540547e-07 3 !-6.10456923e-09 1.94661801e-12-4.02242792e+04 6.11645828e+00 4 !HJC och2ocho 1/20/11 c 2h 3o 3 0g 300.000 5000.000 1426.000 21 1.24378042e+01 7.82259106e-03-2.82874305e-06 4.55808935e-10-2.71391601e-14 2 -4.44526361e+04-3.85337353e+01 3.92797655e+00 1.85731220e-02-4.14656828e-07 3 -6.94060480e-09 2.32311215e-12-4.07070844e+04 1.02048630e+01 4 hoch2oco 8/31/99 thermc 2h 3o 3 0g 300.000 5000.000 1603.000 31 1.13737391e+01 8.17663898e-03-2.92034021e-06 4.66695616e-10-2.76276823e-14 2 -4.65575743e+04-2.86035265e+01 6.08180801e+00 1.28768359e-02 2.04419418e-06 3 -6.10154921e-09 1.79820559e-12-4.39526183e+04 2.54054449e+00 4 ch3ocho t 6/08c 2 h 4 o 2 0 g 200.000 6000.00 1000.00 1 6.33360880e+00 1.34851485e-02-4.84305805e-06 7.81719241e-10-4.67917447e-14 2 -4.68316521e+04-6.91542601e+00 5.96757028e+00-9.38085425e-03 7.07648417e-05 3 -8.29932227e-08 3.13522917e-11-4.55713267e+04 7.50341113e-01-4.37330508e+04 4 ch3oco t10/07c 2 h 3 o 2 0 g 200.000 6000.00 1000.00 1 7.00171955e+00 1.01977290e-02-3.65621800e-06 5.89475086e-10-3.52561321e-14 2 -2.26135780e+04-9.05267669e+00 4.75563598e+00 7.80915313e-03 1.62272935e-05 3 -2.41210787e-08 9.42644561e-12-2.15157456e+04 4.78096491e+00-1.96506108e+04 4 ch2ocho 4/15/ 8 thermc 2h 3o 2 0g 300.000 5000.000 1442.000 21 1.00960096e+01 7.19887066e-03-2.59813465e-06 4.18110812e-10-2.48723387e-14 2 -2.36389018e+04-2.71144175e+01 2.31031671e+00 1.80474065e-02-2.71519637e-06 3 -4.60918579e-09 1.70037078e-12-2.02910878e+04 1.71549722e+01 4 he g 5/97he 1 0 0 0 g 200.000 6000.00 1000.00 1 2.50000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -7.45375000e+02 9.28723974e-01 2.50000000e+00 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-7.45375000e+02 9.28723974e-01 0.00000000e+00 4 c3h8 g 2/00c 3 h 8 0 0 g 200.000 6000.00 1000.00 1 6.66919760e+00 2.06108751e-02-7.36512349e-06 1.18434262e-09-7.06914630e-14 2 -1.62754066e+04-1.31943379e+01 4.21093013e+00 1.70886504e-03 7.06530164e-05 3 -9.20060565e-08 3.64618453e-11-1.43810883e+04 5.61004451e+00-1.25900384e+04 4 nc3h7 a 5/05c 3 h 7 0 0 g 200.000 6000.00 1000.00 1 6.49636579e+00 1.77337992e-02-6.24898046e-06 9.95389495e-10-5.90199770e-14 2 8.85973885e+03-8.56389710e+00 4.08211458e+00 5.23240341e-03 5.13554466e-05 3 -6.99343598e-08 2.81819493e-11 1.04074558e+04 8.39534919e+00 1.21859256e+04 4 ic3h7 a 5/05c 3 h 7 0 0 g 200.000 6000.00 1000.00 1 5.30597255e+00 1.89854588e-02-6.74315384e-06 1.07993730e-09-6.42785036e-14 2 7.78748910e+03-2.23233935e+00 5.47421257e+00-8.42536682e-03 8.04607759e-05 3 -9.49287824e-08 3.59830971e-11 9.04939013e+03 3.40542323e+00 1.08473019e+04 4 c3h6 g 2/00c 3 h 6 0 0 g 200.000 6000.00 1000.00 1 6.03870234e+00 1.62963931e-02-5.82130800e-06 9.35936829e-10-5.58603143e-14 2 -7.41715057e+02-8.43825992e+00 3.83464468e+00 3.29078952e-03 5.05228001e-05 3 -6.66251176e-08 2.63707473e-11 7.88717123e+02 7.53408013e+00 2.40543339e+03 4 !c3h5-a t 9/96c 3 h 5 0 0 g 200.000 6000.00 1000.00 1 ! 0.70094568e+01 0.13106629e-01-0.46533442e-05 0.74514323e-09-0.44350051e-13 2 ! 0.16412909e+05-0.13946114e+02 0.14698036e+01 0.19034365e-01 0.14480425e-04 3 !-0.35468652e-07 0.16647594e-10 0.18325831e+05 0.16724114e+02 0.19675772e+05 4 !c3h5-t t 6/96c 3 h 5 0 0 g 200.000 6000.00 1000.00 1 ! 0.61101805e+01 0.14673395e-01-0.53676822e-05 0.86904932e-09-0.51932006e-13 2 ! 0.25532442e+05-0.83555712e+01 0.25544033e+01 0.10986798e-01 0.30174305e-04 3 !-0.47253568e-07 0.19771073e-10 0.27150242e+05 0.13207592e+02 0.28582707e+05 4 !c3h5-s a12/04c 3 h 5 0 0 g 200.000 6000.00 1000.00 1 ! 6.05091412e+00 1.34052084e-02-4.73450586e-06 7.55380897e-10-4.48421084e-14 2 ! 2.90860210e+04-6.73692060e+00 3.33277282e+00 1.06102499e-02 2.17559727e-05 3 !-3.47145235e-08 1.44476835e-11 3.03404530e+04 9.78922358e+00 3.19361425e+04 4 c3h5-a pd5/98c 3h 5 0 0g 300.000 3000.00 1000.00 1 0.65007877e+01 0.14324731e-01-0.56781632e-05 0.11080801e-08-0.90363887e-13 2 0.17482449e+05-0.11243050e+02 0.13631835e+01 0.19813821e-01 0.12497060e-04 3 -0.33355555e-07 0.15846571e-10 0.19245629e+05 0.17173214e+02 4 c3h5-t pd5/98c 3h 5 0 0g 300.000 3000.00 1000.00 1 0.54255528e+01 0.15511072e-01-0.56678350e-05 0.79224388e-09-0.16878034e-13 2 0.27843027e+05-0.33527184e+01 0.17329209e+01 0.22394620e-01-0.51490611e-05 3 -0.67596466e-08 0.38253211e-11 0.29040498e+05 0.16568878e+02 4 c3h5-s pd5/98c 3h 5 0 0g 300.000 3000.00 1000.00 1 0.53725281e+01 0.15780509e-01-0.59922850e-05 0.93089664e-09-0.36550966e-13 2 0.29614760e+05-0.34186478e+01 0.91372931e+00 0.26432343e-01-0.11758950e-04 3 -0.23035678e-08 0.27715488e-11 0.30916867e+05 0.19989269e+02 4 c3h4-a l 8/89c 3 h 4 0 0 g 200.000 6000.00 1000.00 1 0.63168722e+01 0.11133728e-01-0.39629378e-05 0.63564238e-09-0.37875540e-13 2 0.20117495e+05-0.10995766e+02 0.26130445e+01 0.12122575e-01 0.18539880e-04 3 -0.34525149e-07 0.15335079e-10 0.21541567e+05 0.10226139e+02 0.22962267e+05 4 c3h4-p t 2/90h 4 c 3 0 0 g 200.000 6000.00 1000.00 1 0.60252400e+01 0.11336542e-01-0.40223391e-05 0.64376063e-09-0.38299635e-13 2 0.19620942e+05-0.86043785e+01 0.26803869e+01 0.15799651e-01 0.25070596e-05 3 -0.13657623e-07 0.66154285e-11 0.20802374e+05 0.98769351e+01 0.22302059e+05 4 c3h3 t06/09c 3 h 3 0 0 g 200.000 6000.00 1000.00 1 7.14221719e+00 7.61902211e-03-2.67460030e-06 4.24914904e-10-2.51475443e-14 2 3.72008859e+04-1.25848690e+01 1.35110873e+00 3.27411291e-02-4.73827407e-05 3 3.76310220e-08-1.18541128e-11 3.83979206e+04 1.52058598e+01 3.99061400e+04 4 c3h2 t12/00c 3 h 2 0 0 g 200.000 6000.00 1000.00 1 6.67324762e+00 5.57728845e-03-1.99180164e-06 3.20289156e-10-1.91216272e-14 2 7.57571184e+04-9.72894405e+00 2.43417332e+00 1.73013063e-02-1.18294047e-05 3 1.02756396e-09 1.62626314e-12 7.69074892e+04 1.21012230e+01 7.83005132e+04 4 !c3h5o a11/04c 3 h 5 o 1 0 g 200.000 6000.00 1000.00 1 ! 8.15052559e+00 1.42542561e-02-5.05387276e-06 8.08732845e-10-4.81184188e-14 2 ! 8.72987262e+03-1.69520239e+01 3.53458477e+00 8.02398508e-03 4.85256807e-05 3 !-7.23549959e-08 3.03822687e-11 1.08059525e+04 1.11545728e+01 1.25165081e+04 4 c3h5o 7/20/95 thermc 3h 5o 1 0g 300.000 5000.000 1380.000 11 1.02551752e+01 1.14983720e-02-3.84645659e-06 5.88910346e-10-3.38557923e-14 2 6.26560810e+03-2.77655042e+01 1.19822582e+00 3.05579837e-02-1.80630276e-05 3 4.86150033e-09-4.19854562e-13 9.58217784e+03 2.15566221e+01 4 c3h6ooh1-3 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1384.000 41 1.46881564e+01 1.49941200e-02-5.24056505e-06 8.25462711e-10-4.83758952e-14 2 -4.77342863e+03-4.77984492e+01 1.88331465e+00 4.40156051e-02-3.07858462e-05 3 1.13214862e-08-1.75323184e-12-1.68779168e+02 2.14040621e+01 4 c3h6ooh1-2 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1402.000 41 1.24605763e+01 1.58889526e-02-5.32742106e-06 8.15818791e-10-4.68723250e-14 2 -4.20305196e+03-3.23858947e+01 2.87774562e+00 3.74166999e-02-2.36058063e-05 3 7.79930860e-09-1.06042562e-12-7.82368119e+02 1.93941340e+01 4 c3h6ooh2-1 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1407.000 41 1.42163221e+01 1.43382450e-02-4.78004477e-06 7.29133134e-10-4.17761973e-14 2 -5.67381620e+03-4.35770997e+01 2.09193950e+00 4.69220394e-02-3.90280831e-05 3 1.72381453e-08-3.07968979e-12-1.89377918e+03 2.00178282e+01 4 c3h6ooh2-2 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1407.000 41 1.42163221e+01 1.43382450e-02-4.78004477e-06 7.29133134e-10-4.17761973e-14 2 -5.67381620e+03-4.35770997e+01 2.09193950e+00 4.69220394e-02-3.90280831e-05 3 1.72381453e-08-3.07968979e-12-1.89377918e+03 2.00178282e+01 4 c3h6ooh1-2o2 7/19/ 0 trmc 3h 7o 4 0g 300.000 5000.000 1386.000 51 1.91759159e+01 1.59857013e-02-5.61306378e-06 8.86880495e-10-5.20877040e-14 2 -2.64412115e+04-6.77512936e+01 2.65196584e+00 5.74638149e-02-4.72190867e-05 3 2.05591557e-08-3.68787387e-12-2.08829371e+04 2.01547955e+01 4 c3h6ooh1-3o2 7/19/ 0 trmc 3h 7o 4 0g 300.000 5000.000 1382.000 51 1.85916698e+01 1.65328553e-02-5.81343626e-06 9.19396939e-10-5.40320702e-14 2 -2.39598698e+04-6.42544402e+01 3.14864588e+00 5.33542571e-02-4.08330611e-05 3 1.67542220e-08-2.89288326e-12-1.85473645e+04 1.86305431e+01 4 c3h6ooh2-1o2 7/19/ 0 trmc 3h 7o 4 0g 300.000 5000.000 1386.000 51 1.91759159e+01 1.59857013e-02-5.61306378e-06 8.86880495e-10-5.20877040e-14 2 -2.64412115e+04-6.77512936e+01 2.65196584e+00 5.74638149e-02-4.72190867e-05 3 2.05591557e-08-3.68787387e-12-2.08829371e+04 2.01547955e+01 4 nc3h7o t07/10c 3 h 7 o 1 0 g 200.000 6000.00 1000.00 1 8.38041157e+00 1.95206120e-02-6.97374143e-06 1.12144919e-09-6.69467831e-14 2 -8.48625211e+03-1.89916219e+01 4.21934640e+00 7.38556641e-03 6.02825529e-05 3 -8.38680247e-08 3.39623435e-11-6.23491852e+03 8.08139850e+00-4.26576768e+03 4 ic3h7o 8/ 9/ 4 thermc 3h 7o 1 0g 300.000 5000.000 1393.000 21 1.23135031e+01 1.38062606e-02-4.91585531e-06 8.21075632e-10-5.07493001e-14 2 -1.24717023e+04-4.17270532e+01-8.18260771e-01 4.68807147e-02-3.74369377e-05 3 1.55917264e-08-2.64308171e-12-8.15153216e+03 2.79483196e+01 4 nc3h7o2h t02/10c 3 h 8 o 2 0 g 200.000 6000.00 1000.00 1 1.04115631e+01 2.13763889e-02-7.55819870e-06 1.20207180e-09-7.11798090e-14 2 -2.68935445e+04-2.35428789e+01 7.08977756e+00-4.86163264e-03 1.03253531e-04 3 -1.33200956e-07 5.30799252e-11-2.44194556e+04 1.74859215e+00-2.18476548e+04 4 ic3h7o2h 7/19/ 0 thermc 3h 8o 2 0g 300.000 5000.000 1389.000 41 1.57046391e+01 1.65924516e-02-5.77250934e-06 9.06453070e-10-5.30084111e-14 2 -3.23268564e+04-5.71735156e+01 5.19265570e-01 5.32111228e-02-4.05156892e-05 3 1.63346713e-08-2.73751233e-12-2.71048486e+04 2.40815065e+01 4 nc3h7o2 t04/10c 3 h 7 o 2 0 g 200.000 6000.00 1000.00 1 9.24489759e+00 2.14800809e-02-7.69335773e-06 1.23945160e-09-7.40911693e-14 2 -9.81187945e+03-2.20401438e+01 6.99488957e+00-7.50355088e-03 1.01250579e-04 3 -1.25012534e-07 4.84675978e-11-7.53004240e+03-2.03740242e+00-5.10764916e+03 4 ic3h7o2 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1388.000 31 1.32493493e+01 1.64082190e-02-5.67432062e-06 8.87336340e-10-5.17361535e-14 2 -1.44109855e+04-4.29066213e+01 1.49941639e+00 4.43081205e-02-3.22414456e-05 3 1.29687136e-08-2.23370569e-12-1.02587980e+04 2.02336490e+01 4 c3h6o1-3 a11/04c 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 6.80716906e+00 1.88824545e-02-6.79082475e-06 1.09713919e-09-6.57154952e-14 2 -1.36547629e+04-1.35382154e+01 5.15283752e+00-1.86401716e-02 1.29980652e-04 3 -1.58629974e-07 6.20668783e-11-1.13243512e+04 4.73561224e+00-9.75233898e+03 4 c3h6o1-2 a01/05c 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 8.01491079e+00 1.73919953e-02-6.26027968e-06 1.01188256e-09-6.06239111e-14 2 -1.51980838e+04-1.88279964e+01 3.42806676e+00 6.25176642e-03 6.13196311e-05 3 -8.60387185e-08 3.51371393e-11-1.28446646e+04 1.04244994e+01-1.11564001e+04 4 c3ket12 7/19/ 0 thermc 3h 6o 3 0g 300.000 5000.000 1388.000 41 1.70756225e+01 1.31013491e-02-4.61949408e-06 7.31991329e-10-4.30788679e-14 2 -4.17008637e+04-5.95778952e+01 1.10507238e+00 5.27396706e-02-4.31805774e-05 3 1.81618292e-08-3.10535568e-12-3.63627536e+04 2.54111636e+01 4 c3ket13 7/19/ 0 thermc 3h 6o 3 0g 300.000 5000.000 1379.000 41 1.58927479e+01 1.40990923e-02-4.96118851e-06 7.84992198e-10-4.61488928e-14 2 -3.93774829e+04-5.26049341e+01 3.55241022e+00 4.18720270e-02-2.94550370e-05 3 1.09982900e-08-1.75045977e-12-3.48902671e+04 1.42082894e+01 4 c3ket21 7/19/ 0 thermc 3h 6o 3 0g 300.000 5000.000 1371.000 41 1.56377776e+01 1.44059342e-02-5.08808082e-06 8.07076119e-10-4.75295650e-14 2 -4.30657975e+04-5.13105869e+01 4.55686367e+00 3.57076837e-02-1.94712054e-05 3 4.70695431e-09-3.69753807e-13-3.86710975e+04 9.97761694e+00 4 c3h51-2,3ooh 8/26/3 thrmc 3h 7o 4 0g 300.000 5000.000 1386.000 61 2.12378169e+01 1.39519596e-02-4.94539222e-06 7.86381389e-10-4.63925564e-14 2 -1.92864584e+04-7.69636561e+01 2.55619708e+00 6.13504487e-02-5.23205391e-05 3 2.28208029e-08-4.02231508e-12-1.31353414e+04 2.21043799e+01 4 c3h52-1,3ooh 8/26/3 thrmc 3h 7o 4 0g 300.000 5000.000 1379.000 61 2.02817964e+01 1.48155431e-02-5.25503386e-06 8.35963453e-10-4.93308915e-14 2 -1.80085066e+04-7.22688262e+01 4.12253742e+00 5.19553611e-02-3.83733727e-05 3 1.45851637e-08-2.29820536e-12-1.22759164e+04 1.48367359e+01 4 c3h6oh 1/ 7/98 thermc 3h 7o 1 0g 300.000 5000.000 1674.000 31 9.31287816e+00 1.67579212e-02-5.75555480e-06 9.00584362e-10-5.26566836e-14 2 -1.20169635e+04-1.95011064e+01 1.20494302e+00 3.30857885e-02-1.63893637e-05 3 3.18103918e-09-6.84229288e-14-9.12961720e+03 2.47155202e+01 4 hoc3h6o2 1/ 7/98 thermc 3h 7o 3 0g 300.000 5000.000 1397.000 41 1.42691004e+01 1.71837825e-02-5.83419536e-06 9.00994191e-10-5.20716210e-14 2 -3.14501750e+04-4.15295035e+01 3.06954289e+00 4.43105640e-02-3.18636260e-05 3 1.26409287e-08-2.12751901e-12-2.75893676e+04 1.83891218e+01 4 ch3chco 03/03/95 thermc 3h 4o 1 0g 300.000 5000.000 1400.00 41 1.00219123e+01 9.56966300e-03-3.26221644e-06 5.05231706e-10-2.92593257e-14 2 -1.42482738e+04-2.77829973e+01 1.48380119e+00 3.22203013e-02-2.70250033e-05 3 1.20499164e-08-2.18365931e-12-1.15276540e+04 1.71552068e+01 4 ac3h5ooh 7/20/98 thermc 3h 6o 2 0g 300.000 5000.000 1394.000 31 1.36837693e+01 1.33968049e-02-4.61533631e-06 7.19988958e-10-4.19109988e-14 2 -1.33165248e+04-4.31904193e+01 2.43934647e+00 4.02070638e-02-2.95322679e-05 3 1.14715600e-08-1.85170511e-12-9.43679906e+03 1.70549969e+01 4 c2h3ooh 4/18/ 8 thermc 2h 4o 2 0g 300.000 5000.000 1397.000 21 1.15749951e+01 8.09909174e-03-2.81808668e-06 4.42697954e-10-2.58998042e-14 2 -8.84852664e+03-3.43859117e+01 1.35644398e+00 3.37002447e-02-2.75988500e-05 3 1.14222854e-08-1.89488886e-12-5.49996692e+03 1.98354466e+01 4 c4h10 g12/00c 4 h 10 0 0 g 200.000 6000.00 1000.00 1 9.44547835e+00 2.57856620e-02-9.23613194e-06 1.48631762e-09-8.87891206e-14 2 -2.01383773e+04-2.63477585e+01 6.14474013e+00 1.64500242e-04 9.67848789e-05 3 -1.25486208e-07 4.97846257e-11-1.75989467e+04-1.08058878e+00-1.51289733e+04 4 pc4h9 t 7/04c 4 h 9 0 0 g 200.000 6000.00 1000.00 1 8.97401527e+00 2.39704154e-02-8.48703645e-06 1.35644127e-09-8.06234913e-14 2 5.19161526e+03-2.31075609e+01 4.73737837e+00 9.69051565e-03 6.63846383e-05 3 -9.24799302e-08 3.74006099e-11 7.57382332e+03 4.91063455e+00 9.83838903e+03 4 sc4h9 t 6/04c 4 h 9 0 0 g 200.000 6000.00 1000.00 1 7.72287211e+00 2.43427284e-02-8.65476475e-06 1.38712529e-09-8.26084187e-14 2 4.15004489e+03-1.43949625e+01 5.42089393e+00-9.12146870e-04 8.84998581e-05 3 -1.12115531e-07 4.38222782e-11 6.28927311e+03 5.04210029e+00 8.44598852e+03 4 c4h8-1 t05/09c 4 h 8 0 0 g 200.000 6000.00 1000.00 1 7.86795262e+00 2.24448843e-02-8.07705438e-06 1.30179988e-09-7.77958472e-14 2 -4.23853340e+03-1.65662549e+01 5.13226136e+00 5.33862838e-03 6.02928960e-05 3 -7.60364685e-08 2.87324693e-11-2.16718358e+03 3.82936810e+00-3.72842176e+00 4 c4h8-2 t 5/09c 4 h 8 0 0 g 200.000 6000.00 1000.00 1 7.89114667e+00 2.24970532e-02-8.12143779e-06 1.31273568e-09-7.84451632e-14 2 -5.51643171e+03-1.76436027e+01 5.57278967e+00 3.76541017e-03 6.52226708e-05 3 -8.30909522e-08 3.20311342e-11-3.60128327e+03 5.37796708e-01-1.34523863e+03 4 c4h71-1 t05/04c 4 h 7 0 0 g 200.000 6000.00 1000.00 1 8.15646382e+00 1.90308835e-02-6.73262214e-06 1.07333098e-09-6.36886441e-14 2 2.55826427e+04-1.61428872e+01 4.19857522e+00 1.19616999e-02 4.23864923e-05 3 -6.30299109e-08 2.59475110e-11 2.75256555e+04 8.57181248e+00 2.95712937e+04 4 c4h71-2 t05/04c 4 h 7 0 0 g 200.000 6000.00 1000.00 1 8.16688868e+00 1.95680375e-02-6.95694878e-06 1.11504166e-09-6.64079384e-14 2 2.37537003e+04-1.77041242e+01 3.77145965e+00 1.46544157e-02 3.70080802e-05 3 -5.72714455e-08 2.36641011e-11 2.58014506e+04 9.11906641e+00 2.78022108e+04 4 c4h71-3 t05/04c 4 h 7 0 0 g 200.000 6000.00 1000.00 1 8.08107449e+00 1.95526544e-02-6.93149115e-06 1.10889183e-09-6.59584410e-14 2 1.22822959e+04-1.67137903e+01 4.54746808e+00 4.63771460e-03 6.61340221e-05 3 -8.97456502e-08 3.61716165e-11 1.43843217e+04 7.30313471e+00 1.63702936e+04 4 c4h71-4 t05/04c 4 h 7 0 0 g 200.000 6000.00 1000.00 1 8.49073768e+00 1.91056974e-02-6.74370664e-06 1.07343267e-09-6.36251837e-14 2 2.04659294e+04-1.74555814e+01 5.07355313e+00 5.27619329e-03 6.23441322e-05 3 -8.54203458e-08 3.45890031e-11 2.24615054e+04 5.60318035e+00 2.46070249e+04 4 c4h72-2 t05/04c 4 h 7 0 0 g 200.000 6000.00 1000.00 1 7.26612168e+00 1.99858497e-02-7.12030976e-06 1.14276142e-09-6.81206632e-14 2 2.31915554e+04-1.09941637e+01 7.61389036e+00-9.06922602e-03 8.28486476e-05 3 -9.61203624e-08 3.59333528e-11 2.44971584e+04-5.90519467e+00 2.69231159e+04 4 !c4h6 t05/04c 4 h 6 0 0 g 200.000 6000.00 1000.00 1 ! 7.62637466e+00 1.72523403e-02-6.09184911e-06 9.70800102e-10-5.76169721e-14 2 ! 9.55306395e+03-1.48325259e+01 4.10599669e+00 5.05575563e-03 5.83885454e-05 3 !-8.05950198e-08 3.27447711e-11 1.15092468e+04 8.42978067e+00 1.33302095e+04 4 c4h6 h6w/94c 4h 6 0 0g 300.000 3000.00 1000.00 1 0.88673134e+01 0.14918670e-01-0.31548716e-05-0.41841330e-09 0.15761258e-12 2 0.91338516e+04-0.23328171e+02 0.11284465e+00 0.34369022e-01-0.11107392e-04 3 -0.92106660e-08 0.62065179e-11 0.11802270e+05 0.23089996e+02 4 pc4h9o2h t03/09c 4 h 10 o 2 0 g 200.000 6000.00 1000.00 1 1.28219158e+01 2.86823803e-02-1.02147914e-05 1.63572769e-09-9.73133952e-14 2 -3.07798233e+04-3.94377500e+01 8.00936535e+00-2.66942443e-04 1.16727305e-04 3 -1.51711952e-07 6.00701432e-11-2.75032149e+04-4.64152531e+00-2.43672606e+04 4 sc4h9o2h 7/19/ 0 thermc 4h 10o 2 0g 300.000 5000.000 1390.000 51 1.88587916e+01 2.11200987e-02-7.33205568e-06 1.14969842e-09-6.71656991e-14 2 -3.64236058e+04-7.20026458e+01 3.40587657e-01 6.52078069e-02-4.84840460e-05 3 1.91011830e-08-3.13833073e-12-3.00007960e+04 2.72835451e+01 4 pc4h9o2 t04/09c 4 h 9 o 2 0 g 200.000 6000.00 1000.00 1 1.23429985e+01 2.62571448e-02-9.56671199e-06 1.55186643e-09-9.30636032e-14 2 -1.38631285e+04-3.51216207e+01 7.72177591e+00-5.24480169e-03 1.23509561e-04 3 -1.57237681e-07 6.17433797e-11-1.05195922e+04-7.64797505e-01-7.64084185e+03 4 sc4h9o2 t04/09c 4 h 9 o 2 0 g 200.000 6000.00 1000.00 1 1.32050457e+01 2.48733258e-02-9.02931866e-06 1.46076060e-09-8.74286907e-14 2 -1.64965836e+04-3.96133038e+01 6.28258160e+00 9.26838632e-03 8.83567395e-05 3 -1.23824125e-07 5.03388028e-11-1.29976940e+04 4.27236502e+00-1.01528994e+04 4 pc4h9o t09/08c 4 h 9 o 1 0 g 200.000 6000.00 1000.00 1 1.21282441e+01 2.43644908e-02-9.02471630e-06 1.47949540e-09-8.93697147e-14 2 -1.29796240e+04-3.75312729e+01 5.61811041e+00 2.13096414e-03 1.02735847e-04 3 -1.34293799e-07 5.26670215e-11-9.21420279e+03 5.86104936e+00-6.77730858e+03 4 sc4h9o a09/04c 4 h 9 o 1 0 g 200.000 6000.00 1000.00 1 1.23515300e+01 2.40070435e-02-8.82800485e-06 1.44359362e-09-8.71114711e-14 2 -1.46466302e+04-4.13524913e+01 4.43662987e+00 1.00289940e-02 8.56583118e-05 3 -1.18678067e-07 4.74411822e-11-1.07133878e+04 8.21507294e+00-8.40019580e+03 4 c4h7o 4/ 3/ 0 thermc 4h 7o 1 0g 300.000 5000.000 1395.000 21 1.53137780e+01 1.43427017e-02-4.81625517e-06 7.39574839e-10-4.26140814e-14 2 -7.29342884e+02-5.52937859e+01-1.60619192e+00 5.58562682e-02-4.35595767e-05 3 1.70589279e-08-2.65635180e-12 4.85090326e+03 3.47112559e+01 4 c4h8o1-2 4/ 3/ 0 thermc 4h 8o 1 0g 300.000 5000.000 1399.000 21 1.39197290e+01 1.85551492e-02-6.36014179e-06 9.88844645e-10-5.74274779e-14 2 -2.09452548e+04-5.06788231e+01-2.42033073e+00 5.79308508e-02-4.30236499e-05 3 1.66679793e-08-2.64714350e-12-1.53950880e+04 3.66425242e+01 4 c4h8o1-3 1/22/95 thermc 4h 8o 1 0g 300.000 5000.000 1371.000 51 1.54227092e+01 1.70211052e-02-6.06347951e-06 9.67354762e-10-5.71992419e-14 2 -2.20194174e+04-6.13871862e+01-2.53690104e+00 5.43995707e-02-3.43390305e-05 3 1.01079922e-08-1.10262736e-12-1.52980680e+04 3.67400719e+01 4 c4h8o1-4 1/22/95 thermc 4h 8o 1 0g 300.000 5000.000 1361.000 51 1.42360731e+01 1.81176105e-02-6.46263809e-06 1.03194372e-09-6.10557331e-14 2 -2.99478670e+04-5.52081041e+01-3.28505561e+00 5.04800902e-02-2.51998984e-05 3 3.65743744e-09 3.94863161e-13-2.30067422e+04 4.19349253e+01 4 c4h8o2-3 1/22/95 thermc 4h 8o 1 0g 300.000 5000.000 1384.000 51 1.58263859e+01 1.64400938e-02-5.80680311e-06 9.21146000e-10-5.42511002e-14 2 -2.35334573e+04-6.34844562e+01-2.98701197e+00 6.32678880e-02-5.20855777e-05 3 2.24064364e-08-3.95416618e-12-1.71957196e+04 3.66920390e+01 4 pc4h8oh 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1503.000 41 1.40357398e+01 1.94173155e-02-6.50230141e-06 9.95481694e-10-5.72034525e-14 2 -1.67631276e+04-4.41162528e+01 1.20329680e+00 4.40218297e-02-2.12295754e-05 3 3.03714993e-09 3.72027554e-13-1.18622440e+04 2.65515175e+01 4 sc4h8oh 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1392.000 41 1.48421985e+01 1.78435665e-02-6.16709050e-06 1.00443458e-09-6.10697983e-14 2 -1.81714637e+04-4.96976895e+01-1.04565044e+00 5.72423420e-02-4.43109142e-05 3 1.80944672e-08-3.02843329e-12-1.28718032e+04 3.48383489e+01 4 c4h8ooh1-1 3/27/97 thermc 4h 9o 2 0g 300.000 5000.000 1379.000 51 1.80477436e+01 1.92137176e-02-6.66503008e-06 1.04468117e-09-6.10170737e-14 2 -1.23069570e+04-6.33580990e+01 4.36087539e+00 4.46153162e-02-2.14784588e-05 3 3.14619957e-09 3.03152649e-13-6.89950326e+03 1.24757248e+01 4 c4h8ooh1-2 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1393.000 51 1.58327906e+01 2.07220436e-02-7.09869028e-06 1.10302045e-09-6.40251984e-14 2 -8.53034314e+03-5.04399828e+01 1.51698234e+00 5.44584331e-02-3.84524319e-05 3 1.48145523e-08-2.42809434e-12-3.49728423e+03 2.64916926e+01 4 c4h8ooh1-3 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1377.000 51 1.76442170e+01 1.91706536e-02-6.57168641e-06 1.02246571e-09-5.94304735e-14 2 -1.01859280e+04-6.17115813e+01 1.94106276e+00 5.18789351e-02-3.10411683e-05 3 8.63568881e-09-8.42841994e-13-4.34315962e+03 2.40230471e+01 4 c4h8ooh1-4 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1386.000 51 1.78623700e+01 1.95212501e-02-6.80351173e-06 1.06960529e-09-6.26000540e-14 2 -8.87923008e+03-6.34393359e+01 1.45017084e+00 5.72418991e-02-4.06431218e-05 3 1.52821793e-08-2.42123218e-12-3.02905522e+03 2.50737890e+01 4 c4h8ooh2-1 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1390.000 51 1.84555673e+01 1.89543719e-02-6.59381457e-06 1.03538370e-09-6.05467101e-14 2 -1.13637100e+04-6.69839138e+01 1.01711681e+00 6.10560866e-02-4.65789185e-05 3 1.88024138e-08-3.15265575e-12-5.37391474e+03 2.63059691e+01 4 c4h8ooh2-2 3/27/97 thermc 4h 9o 2 0g 300.000 5000.000 1383.000 51 1.63837700e+01 2.04422768e-02-7.04524557e-06 1.09927552e-09-6.39967086e-14 2 -1.45616229e+04-5.33147431e+01 4.40329034e+00 4.30478989e-02-2.14076129e-05 3 4.28267268e-09-1.27804885e-13-9.79432029e+03 1.30514046e+01 4 c4h8ooh2-3 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1387.000 51 1.79338472e+01 1.92153623e-02-6.64486961e-06 1.03940007e-09-6.06239862e-14 2 -1.25767913e+04-6.36194089e+01 1.45436266e+00 5.63121286e-02-3.84161425e-05 3 1.34229297e-08-1.92382914e-12-6.68916116e+03 2.54247554e+01 4 c4h8ooh2-4 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1390.000 51 1.84555673e+01 1.89543719e-02-6.59381457e-06 1.03538370e-09-6.05467101e-14 2 -1.13637100e+04-6.69839138e+01 1.01711681e+00 6.10560866e-02-4.65789185e-05 3 1.88024138e-08-3.15265575e-12-5.37391474e+03 2.63059691e+01 4 c4h8ooh1-2o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 c4h8ooh1-3o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 c4h8ooh1-4o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1383.000 61 2.17116470e+01 2.11216172e-02-7.40101448e-06 1.16772959e-09-6.85139846e-14 2 -2.80483124e+04-7.95885249e+01 3.12351717e+00 6.46725908e-02-4.78357914e-05 3 1.89656817e-08-3.18025828e-12-2.14664300e+04 2.04322494e+01 4 c4h8ooh2-1o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 c4h8ooh2-3o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1389.000 61 2.29951044e+01 1.99238919e-02-6.96326765e-06 1.09677832e-09-6.42747281e-14 2 -3.30095408e+04-8.71461958e+01 2.19248006e+00 7.36763430e-02-6.24428300e-05 3 2.79371307e-08-5.10126013e-12-2.61773538e+04 2.29568752e+01 4 c4h8ooh2-4o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 nc4ket12 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1388.000 51 2.02458485e+01 1.76440360e-02-6.19054598e-06 9.77688024e-10-5.74053258e-14 2 -4.58141511e+04-7.52145443e+01 8.05387149e-01 6.52375119e-02-5.18373651e-05 3 2.13454896e-08-3.59860255e-12-3.92395961e+04 2.84908472e+01 4 nc4ket13 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1386.000 51 1.96430808e+01 1.80940566e-02-6.33063232e-06 9.97860399e-10-5.85076458e-14 2 -4.59588851e+04-7.16905094e+01 2.74883461e+00 5.86936745e-02-4.49605895e-05 3 1.83200130e-08-3.11765369e-12-4.01065878e+04 1.88072090e+01 4 nc4ket14 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1382.000 51 1.90283822e+01 1.86604765e-02-6.53616227e-06 1.03102482e-09-6.04833256e-14 2 -4.34678787e+04-6.80210373e+01 3.40797147e+00 5.37386096e-02-3.72613233e-05 3 1.36862855e-08-2.13798779e-12-3.77919233e+04 1.65580190e+01 4 nc4ket21 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1376.000 51 1.86231473e+01 1.90969401e-02-6.70745998e-06 1.05994690e-09-6.22564248e-14 2 -4.71929933e+04-6.55477892e+01 4.69785973e+00 4.83859623e-02-3.05576939e-05 3 1.02705744e-08-1.51713483e-12-4.18665528e+04 1.06715264e+01 4 nc4ket23 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1387.000 51 1.99512969e+01 1.79558596e-02-6.31230878e-06 9.98217386e-10-5.86636973e-14 2 -4.95585495e+04-7.43071328e+01 4.50575961e-01 6.48862527e-02-5.04446464e-05 3 2.03085220e-08-3.35952497e-12-4.28779359e+04 3.00153676e+01 4 nc4ket24 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1380.000 51 1.87707201e+01 1.89490823e-02-6.65182145e-06 1.05080860e-09-6.17069393e-14 2 -4.72319802e+04-6.73335107e+01 2.93007283e+00 5.39296076e-02-3.66164919e-05 3 1.30880106e-08-1.99245456e-12-4.14118815e+04 1.86567511e+01 4 c2h5coch3 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1388.000 31 1.29205497e+01 1.89951927e-02-6.51524488e-06 1.01337892e-09-5.88684358e-14 2 -3.52805370e+04-4.17145319e+01 8.79730243e-02 4.62285001e-02-2.79764453e-05 3 8.48736503e-09-1.03073749e-12-3.05063224e+04 2.82501189e+01 4 c2h5coch2 4/ 3/ 0 thermc 4h 7o 1 0g 300.000 5000.000 1383.000 31 1.42098738e+01 1.57866459e-02-5.50529183e-06 8.65870540e-10-5.06913329e-14 2 -1.41284951e+04-4.87132911e+01 1.54013856e+00 4.39486258e-02-2.97002421e-05 3 1.05495313e-08-1.58598769e-12-9.50796505e+03 1.99706641e+01 4 ch2ch2coch3 6/21/95 therc 4h 7o 1 0g 300.000 5000.000 1380.00 31 1.24694368e+01 1.71022143e-02-5.92156726e-06 9.26816806e-10-5.40730504e-14 2 -1.01378242e+04-3.62186375e+01 2.40255609e+00 3.67294268e-02-1.97316510e-05 3 5.07323216e-09-4.99655275e-13-6.15006886e+03 1.93993386e+01 4 ch3chcoch3 4/ 3/ 0 thermc 4h 7o 1 0g 300.000 5000.000 1384.000 31 1.31388032e+01 1.66091073e-02-5.76924215e-06 9.04978165e-10-5.28826527e-14 2 -1.51162098e+04-4.38876580e+01 8.12941079e-01 4.29256944e-02-2.69230252e-05 3 8.59326807e-09-1.13188129e-12-1.05247481e+04 2.32952685e+01 4 c2h3coch3 6/19/95 thermc 4h 6o 1 0g 300.000 5000.000 1386.00 21 1.25571995e+01 1.49672645e-02-5.20015351e-06 8.15864365e-10-4.76824406e-14 2 -2.14622958e+04-4.01434299e+01 2.45578501e-01 4.26432049e-02-2.91126822e-05 3 1.03478392e-08-1.53551381e-12-1.70305379e+04 2.64430799e+01 4 ch3choococh3 6/27/95 c 4h 7o 3 0g 300.000 5000.000 1393.00 41 1.72170832e+01 1.76740453e-02-6.10387321e-06 9.53711693e-10-5.55757409e-14 2 -3.05280370e+04-5.67959657e+01 1.59405312e+00 5.74729487e-02-4.65071459e-05 3 2.01816805e-08-3.61175600e-12-2.53445178e+04 2.60857480e+01 4 ch2choohcoch3 6/27/95 c 4h 7o 3 0g 300.000 5000.000 1394.00 51 1.93158016e+01 1.56592602e-02-5.45395604e-06 8.57160086e-10-5.01582885e-14 2 -2.47752201e+04-6.70296581e+01 1.55204769e+00 6.08201262e-02-5.04704383e-05 3 2.16347587e-08-3.75674081e-12-1.89563540e+04 2.71011896e+01 4 nc3h7cho t05/09 c 4h 8o 1 0g 200.000 6000.000 1000.00 1 1.02351219e+01 2.32201057e-02-8.46144199e-06 1.37589764e-09-8.27046434e-14 2 -3.00345804e+04-2.82583105e+01 5.30068149e+00 5.00213349e-03 8.12219686e-05 3 -1.07815910e-07 4.25781054e-11-2.71198341e+04 4.93592991e+00-2.47924787e+04 4 nc3h7co 9/27/95 thermc 4h 7o 1 0g 300.000 5000.000 1380.00 31 1.30026331e+01 1.63104877e-02-5.57642899e-06 8.65670629e-10-5.02255667e-14 2 -1.25523385e+04-4.02608515e+01 2.67256826e+00 3.71198825e-02-2.06862859e-05 3 5.48873888e-09-5.35864183e-13-8.58050888e+03 1.64848950e+01 4 c3h6cho-1 9/27/95 thermc 4h 7o 1 0g 300.000 5000.000 1379.000 31 1.30322954e+01 1.62418373e-02-5.54388124e-06 8.59723685e-10-4.98459726e-14 2 -6.45915975e+03-3.92399021e+01 2.67672303e+00 3.73064128e-02-2.11281405e-05 3 5.80472681e-09-6.09688236e-13-2.49714183e+03 1.75750933e+01 4 c3h6cho-2 11/15/95 thermc 4h 7o 1 0g 300.000 5000.000 1682.000 31 1.11942816e+01 1.81806772e-02-6.35916662e-06 1.00727333e-09-5.93943618e-14 2 -6.86826460e+03-2.80298956e+01 2.95067531e+00 3.34223079e-02-1.45356815e-05 3 1.67282048e-09 2.62011555e-13-3.79034324e+03 1.74324072e+01 4 c3h6cho-3 11/15/95 thermc 4h 7o 1 0g 300.000 5000.000 1387.000 31 1.34301738e+01 1.62250792e-02-5.60631713e-06 8.76356273e-10-5.10864241e-14 2 -1.13561098e+04-4.47371262e+01 1.35168659e+00 4.23714083e-02-2.69123192e-05 3 8.70132567e-09-1.15287455e-12-6.91166610e+03 2.09381509e+01 4 c2h5chco 9/27/95 thermc 4h 6o 1 0g 300.000 5000.000 1400.00 21 1.34100537e+01 1.38766678e-02-4.74130143e-06 7.35504188e-10-4.26457752e-14 2 -1.83790837e+04-4.45295352e+01 2.76600655e-01 4.82966593e-02-4.02376928e-05 3 1.76564254e-08-3.14365357e-12-1.41717351e+04 2.47118671e+01 4 sc3h5cho 11/15/95 therc 4h 6o 1 0g 300.000 5000.000 1390.000 21 1.31695904e+01 1.42484434e-02-4.90843998e-06 7.65789041e-10-4.45834896e-14 2 -2.04032613e+04-4.43673205e+01 4.35795171e-01 4.48719314e-02-3.36582931e-05 3 1.33066870e-08-2.17839128e-12-1.60394651e+04 2.37597452e+01 4 sc3h5co 11/15/95 thermc 4h 5o 1 0g 300.000 5000.000 1392.000 21 1.25514754e+01 1.22521948e-02-4.22382101e-06 6.59184896e-10-3.83818826e-14 2 -4.25349795e+03-4.02864145e+01 1.74191343e+00 3.97229536e-02-3.20061901e-05 3 1.38227925e-08-2.46272017e-12-6.64428100e+02 1.70762023e+01 4 ic4h10 g 8/00c 4 h 10 0 0 g 200.000 6000.00 1000.00 1 9.76991697e+00 2.54997141e-02-9.14142587e-06 1.47328201e-09-8.80799697e-14 2 -2.14052667e+04-3.00329670e+01 4.45479140e+00 8.26058864e-03 8.29886433e-05 3 -1.14647616e-07 4.64569994e-11-1.84593929e+04 4.92740653e+00-1.62354727e+04 4 ic4h9 t 6/04c 4 h 9 0 0 g 200.000 6000.00 1000.00 1 9.61250942e+00 2.28581786e-02-8.06391309e-06 1.28556553e-09-7.62730799e-14 2 4.15218608e+03-2.66485099e+01 3.34476784e+00 2.31869650e-02 3.28261040e-05 3 -5.96398514e-08 2.58980820e-11 6.66201200e+03 9.68860372e+00 8.87422590e+03 4 tc4h9 t 6/04c 4 h 9 0 0 g 200.000 6000.00 1000.00 1 6.72557390e+00 2.53649194e-02-9.05306262e-06 1.45474620e-09-8.67934112e-14 2 2.57430692e+03-8.89920414e+00 6.45910754e+00-1.02015930e-02 1.06310577e-04 3 -1.25717030e-07 4.75543216e-11 4.43420391e+03 1.30648608e+00 6.61981524e+03 4 ic4h8 t05/09c 4 h 8 0 0 g 200.000 6000.00 1000.00 1 8.94232121e+00 2.12900129e-02-7.61851464e-06 1.22641473e-09-7.32634442e-14 2 -6.67292929e+03-2.46775148e+01 3.30612340e+00 1.33377057e-02 5.65726066e-05 3 -8.46898088e-08 3.52403438e-11-4.04128388e+03 9.92304633e+00-2.11365432e+03 4 ic4h7 t05/04c 4 h 7 0 0 g 200.000 6000.00 1000.00 1 8.34970451e+00 1.92508033e-02-6.81360221e-06 1.08484853e-09-6.42422082e-14 2 1.24406647e+04-1.87060633e+01 2.38739541e+00 2.06784631e-02 2.89299685e-05 3 -5.37553477e-08 2.35670326e-11 1.47584145e+04 1.55529104e+01 1.65497991e+04 4 ic4h9o2 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1387.000 41 1.59741221e+01 2.13534740e-02-7.39001105e-06 1.15624411e-09-6.74408046e-14 2 -1.72329304e+04-5.65302409e+01 1.21434293e+00 5.45388311e-02-3.67001593e-05 3 1.34131042e-08-2.11741793e-12-1.18482450e+04 2.34153048e+01 4 tc4h9o2 t04/08c 4 h 9 o 2 0 g 200.000 6000.00 1000.00 1 1.34566146e+01 2.40864396e-02-8.56308159e-06 1.36853372e-09-8.12706683e-14 2 -1.89690450e+04-4.18792381e+01 4.45494881e+00 2.89185105e-02 3.68274347e-05 3 -7.18116292e-08 3.18779709e-11-1.56103943e+04 9.17831465e+00-1.27983095e+04 4 tc4h8o2h-i 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1405.000 51 1.78060253e+01 1.84952716e-02-6.21268423e-06 9.52753962e-10-5.48010330e-14 2 -1.17555816e+04-6.40180236e+01 1.57469723e+00 6.04648659e-02-4.84991814e-05 3 2.05236181e-08-3.52974722e-12-6.54190901e+03 2.16852700e+01 4 ic4h8o2h-i 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1388.000 51 1.80246456e+01 1.93668264e-02-6.74676496e-06 1.06040129e-09-6.20506445e-14 2 -1.00858977e+04-6.57629693e+01 9.94784793e-01 5.89212240e-02-4.25202225e-05 3 1.61370574e-08-2.55904902e-12-4.08029057e+03 2.58950880e+01 4 ic4h8o2h-t 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1397.000 51 1.52395012e+01 2.06496983e-02-6.94791927e-06 1.06651097e-09-6.13782754e-14 2 -1.02271199e+04-4.70908585e+01 3.77633001e+00 4.50889269e-02-2.62423875e-05 3 7.74736900e-09-9.11520393e-13-5.98295842e+03 1.53503399e+01 4 ic4h8o 7/19/95 thermc 4h 8o 1 0g 300.000 5000.000 1399.000 21 1.44624830e+01 1.80562860e-02-6.18008791e-06 9.59941341e-10-5.57132297e-14 2 -2.30230616e+04-5.61190165e+01-2.97373741e+00 6.24618637e-02-5.04348211e-05 3 2.13345360e-08-3.67382824e-12-1.73274318e+04 3.62336362e+01 4 cc4h8o 6/29/95 thermc 4h 8o 1 0g 300.000 5000.000 1401.000 11 1.35131704e+01 1.91666441e-02-6.53902359e-06 1.01366570e-09-5.87546671e-14 2 -2.00311488e+04-5.22146967e+01-5.27768230e+00 6.52482242e-02-5.00209030e-05 3 1.97452179e-08-3.15605813e-12-1.37706522e+04 4.78500688e+01 4 tc4h9o t08/04c 4 h 9 o 1 0 g 200.000 6000.00 1000.00 1 1.27371509e+01 2.33707342e-02-8.50516678e-06 1.38519973e-09-8.34398061e-14 2 -1.66940150e+04-4.53156321e+01 2.77057100e+00 2.68033175e-02 4.12718360e-05 3 -7.22054739e-08 3.02642276e-11-1.27079262e+04 1.21532856e+01-1.04543262e+04 4 ic4h9o a08/04c 4 h 9 o 1 0 g 200.000 6000.00 1000.00 1 1.16309708e+01 2.47981574e-02-9.01550536e-06 1.46714720e-09-8.83214518e-14 2 -1.37854612e+04-3.81956151e+01 3.80297372e+00 1.56874209e-02 6.81105412e-05 3 -9.83346774e-08 3.95261902e-11-1.00832243e+04 9.78963305e+00-7.82602559e+03 4 ic4h9o2h 7/19/ 0 thermc 4h 10o 2 0g 300.000 5000.000 1388.000 51 1.84308794e+01 2.15337606e-02-7.48623965e-06 1.17499240e-09-6.86890788e-14 2 -3.51483277e+04-7.08030846e+01 2.44181899e-01 6.34027841e-02-4.49162379e-05 3 1.67406877e-08-2.61216478e-12-2.86959808e+04 2.72156229e+01 4 tc4h9o2h t02/10c 4 h 10 o 2 0 g 200.000 6000.00 1000.00 1 1.52702114e+01 2.56462637e-02-9.02796199e-06 1.43759278e-09-8.52381573e-14 2 -3.58539067e+04-5.44966764e+01 3.96033042e+00 4.06267078e-02 1.85652131e-05 3 -5.72128820e-08 2.73014984e-11-3.20467014e+04 7.55565609e+00-2.89963507e+04 4 ic4h7o 4/ 3/ 0 thermc 4h 7o 1 0g 300.000 5000.000 1386.000 21 1.33457615e+01 1.61218588e-02-5.44376403e-06 8.38199374e-10-4.83608280e-14 2 6.11443644e+02-4.36818838e+01 1.74700687e+00 4.07783436e-02-2.44750243e-05 3 7.06502958e-09-7.51570589e-13 4.86979233e+03 1.94535999e+01 4 ic4h8oh 2/14/95 thermc 4h 9o 1 0g 300.000 5000.000 1376.000 41 1.25605997e+01 2.10637488e-02-7.15019648e-06 1.10439262e-09-6.38428695e-14 2 -1.86203249e+04-3.67889430e+01 3.29612707e+00 3.47649647e-02-1.02505618e-05 3 -2.04641931e-09 1.18879408e-12-1.45627247e+04 1.58606320e+01 4 io2c4h8oh 8/23/95 thermc 4h 9o 3 0g 300.000 5000.000 1395.000 51 1.79798208e+01 2.13452115e-02-7.29108198e-06 1.13068846e-09-6.55402236e-14 2 -3.85769917e+04-6.23553522e+01 2.88826008e+00 5.80363124e-02-4.26690874e-05 3 1.71759332e-08-2.91842186e-12-3.33881503e+04 1.83381149e+01 4 tc3h6cho 2/22/96 thermc 4h 7o 1 0g 300.000 5000.000 1389.000 21 1.31013047e+01 1.66391865e-02-5.68457623e-06 8.81808351e-10-5.11290161e-14 2 -1.30638647e+04-4.42705813e+01 1.87052762e+00 4.14869677e-02-2.66815701e-05 3 9.01531610e-09-1.27870633e-12-8.97730744e+03 1.66174178e+01 4 ic3h6cho 2/22/96 thermc 4h 7o 1 0g 300.000 5000.000 1390.000 31 1.33102250e+01 1.62097959e-02-5.57575891e-06 8.69003718e-10-5.05554202e-14 2 -7.62177931e+03-4.25050854e+01 5.21481767e-01 4.43114357e-02-2.86617314e-05 3 9.30319894e-09-1.20761563e-12-2.99677086e+03 2.68182130e+01 4 ic3h7co 2/22/96 thermc 4h 7o 1 0g 300.000 5000.000 1390.000 31 1.33305736e+01 1.61873930e-02-5.56711402e-06 8.67575951e-10-5.04696549e-14 2 -1.37307001e+04-4.33958746e+01 5.03452639e-01 4.41607510e-02-2.82139091e-05 3 8.93548675e-09-1.11327422e-12-9.07755468e+03 2.61991461e+01 4 tc4h8ooh-io2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1386.000 61 2.26382889e+01 2.03246143e-02-7.12390770e-06 1.12425028e-09-6.59732993e-14 2 -3.24406877e+04-8.80387843e+01 2.17782096e+00 7.17785118e-02-5.88836046e-05 3 2.56759171e-08-4.61678643e-12-2.55622378e+04 2.07846231e+01 4 ic4h8ooh-io2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1385.000 61 2.18969581e+01 2.09637874e-02-7.34664900e-06 1.15926594e-09-6.80225413e-14 2 -2.92664889e+04-8.20540807e+01 2.39424426e+00 6.76572549e-02-5.17083682e-05 3 2.10796041e-08-3.59960373e-12-2.24787495e+04 2.25029839e+01 4 ic4h8ooh-to2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1386.000 61 2.26382889e+01 2.03246143e-02-7.12390770e-06 1.12425028e-09-6.59732993e-14 2 -3.24406877e+04-8.80387843e+01 2.17782096e+00 7.17785118e-02-5.88836046e-05 3 2.56759171e-08-4.61678643e-12-2.55622378e+04 2.07846231e+01 4 ic4ketii 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1387.000 51 1.95143059e+01 1.82377395e-02-6.38908606e-06 1.00801571e-09-5.91440350e-14 2 -4.46884836e+04-7.17167584e+01 1.15501614e+00 6.10622345e-02-4.49711323e-05 3 1.70514654e-08-2.65948602e-12-3.82747956e+04 2.69612235e+01 4 ic4ketit 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1388.000 51 2.09369850e+01 1.71090955e-02-6.01892169e-06 9.52353863e-10-5.59926176e-14 2 -4.77819819e+04-8.27717611e+01 1.14243741e+00 6.33840797e-02-4.73084738e-05 3 1.77145373e-08-2.67265475e-12-4.09366796e+04 2.34844867e+01 4 ic4h7oh 4/ 8/97 thermc 4h 8o 1 0g 300.000 5000.000 1384.000 31 1.35043419e+01 1.78646968e-02-5.99304371e-06 9.18717641e-10-5.28435302e-14 2 -2.58255688e+04-4.44645715e+01 1.69099899e+00 4.27168891e-02-2.49281695e-05 3 7.00961522e-09-7.23262828e-13-2.14512334e+04 1.99500833e+01 4 ic4h6oh 8/19/95 thermc 4h 7o 1 0g 300.000 5000.000 1390.000 31 1.40310926e+01 1.55317541e-02-5.32754961e-06 8.28785902e-10-4.81545257e-14 2 -7.69378228e+03-4.76555306e+01 8.63371227e-01 4.68711282e-02-3.43580339e-05 3 1.33031052e-08-2.13914975e-12-3.14948305e+03 2.29075523e+01 4 ic3h5cho 7/19/95 thermc 4h 6o 1 0g 300.000 5000.000 1396.000 21 1.36203958e+01 1.37917192e-02-4.73370118e-06 7.36655226e-10-4.20097974e-14 2 -2.00025274e+04-4.73184531e+01 6.27183793e-01 4.66780254e-02-3.74430631e-05 3 1.58330542e-08-2.73952155e-12-1.57203117e+04 2.16034294e+01 4 ic3h5co 4/ 3/ 0 thermc 4h 5o 1 0g 300.000 5000.000 1397.000 21 1.30667437e+01 1.16704244e-02-3.99106523e-06 6.19498148e-10-3.59348249e-14 2 -3.36519344e+03-4.35803090e+01 1.85097069e+00 4.18855846e-02-3.62553731e-05 3 1.65690659e-08-3.05850846e-12 1.70381441e+02 1.53014433e+01 4 tc3h6ocho 8/25/95 thermc 4h 7o 2 0g 300.000 5000.000 1394.00 31 1.70371287e+01 1.54400645e-02-5.28332886e-06 8.21085347e-10-4.76898429e-14 2 -2.75871941e+04-6.37271230e+01 3.70830259e-01 5.38475661e-02-3.82477565e-05 3 1.32882237e-08-1.79228730e-12-2.18391262e+04 2.58142112e+01 4 ic3h6co 03/03/95 thermc 4h 6o 1 0g 300.000 5000.000 1397.00 41 1.32548232e+01 1.40142787e-02-4.78910215e-06 7.42924342e-10-4.30737566e-14 2 -2.00529779e+04-4.44810221e+01 2.28039055e+00 4.17016989e-02-3.25089661e-05 3 1.37243419e-08-2.40573132e-12-1.63939712e+04 1.38187714e+01 4 ic4h7ooh 7/19/95 thermc 4h 8o 2 0g 300.000 5000.000 1392.00 41 1.69234564e+01 1.78396769e-02-6.14273279e-06 9.57895028e-10-5.57438304e-14 2 -2.00040686e+04-5.94746070e+01 2.99117402e+00 5.03349278e-02-3.56280061e-05 3 1.33952154e-08-2.11053409e-12-1.51095046e+04 1.54537413e+01 4 tc3h6ohcho 8/ 1/95 thermc 4h 8o 2 0g 300.000 5000.000 1396.00 41 1.70788996e+01 1.74005554e-02-5.93008112e-06 9.18860909e-10-5.32512140e-14 2 -5.38730427e+04-6.38638754e+01 2.10033500e-01 5.63086284e-02-3.95158669e-05 3 1.37780428e-08-1.89068805e-12-4.80402638e+04 2.67836070e+01 4 tc3h6oh 8/ 9/ 4 thermc 3h 7o 1 0g 300.000 5000.000 1392.000 31 1.12222277e+01 1.36444398e-02-4.51406709e-06 7.10523275e-10-4.22690392e-14 2 -1.75350136e+04-3.18911926e+01 1.09670360e+00 3.80727565e-02-2.75022497e-05 3 1.07477493e-08-1.74895773e-12-1.40764487e+04 2.22475799e+01 4 tc3h6o2cho 8/ 2/95 thermc 4h 7o 3 0g 300.000 5000.000 1386.00 41 1.85534443e+01 1.68774389e-02-5.90752965e-06 9.31518085e-10-5.46345187e-14 2 -2.85447191e+04-6.82486667e+01 2.17883383e+00 5.41595832e-02-3.83435886e-05 3 1.38308104e-08-2.04190147e-12-2.27394154e+04 2.00751264e+01 4 tc3h6o2hco 8/ 2/95 thermc 4h 7o 3 0g 300.000 5000.000 1387.00 51 2.06472678e+01 1.48526500e-02-5.25104875e-06 8.33619219e-10-4.91256069e-14 2 -2.88719869e+04-7.95951389e+01 2.03864428e+00 5.80421003e-02-4.32123528e-05 3 1.58792094e-08-2.32209543e-12-2.24284673e+04 2.03680990e+01 4 ic3h5o2hcho 8/2/95 thermc 4h 7o 3 0g 300.000 5000.000 1387.00 51 2.06288832e+01 1.48625539e-02-5.25305276e-06 8.33772951e-10-4.91277401e-14 2 -2.27589076e+04-7.82962888e+01 2.05984770e+00 5.82331716e-02-4.37672100e-05 3 1.63249918e-08-2.43462051e-12-1.63496250e+04 2.13687921e+01 4 ch2cch2oh 9/ 8/95 thermc 3h 5o 1 0g 300.000 5000.000 1372.00 21 9.70702027e+00 1.13972660e-02-3.77993962e-06 5.75209277e-10-3.29229125e-14 2 9.13212884e+03-2.25012933e+01 2.88422544e+00 2.42428071e-02-1.14152268e-05 3 1.71775334e-09 1.42177454e-13 1.17935615e+04 1.52102335e+01 4 tc4h8cho 9/ 7/95 thermc 5h 9o 1 0g 300.000 5000.000 1397.00 41 1.79663933e+01 1.94207117e-02-6.67409451e-06 1.03969221e-09-6.04702651e-14 2 -1.33368585e+04-6.79819424e+01-9.58078294e-01 6.42003258e-02-4.70776827e-05 3 1.75737698e-08-2.64896151e-12-6.86582501e+03 3.33781112e+01 4 o2c4h8cho 9/ 7/95 thermc 5h 9o 3 0g 300.000 5000.000 1395.00 51 2.12629904e+01 2.14072282e-02-7.38342949e-06 1.15281523e-09-6.71508438e-14 2 -3.16854524e+04-7.99828703e+01 1.91847699e+00 6.67245869e-02-4.80871046e-05 3 1.78588690e-08-2.71163880e-12-2.49837984e+04 2.38577867e+01 4 o2hc4h8co 9/ 7/95 thermc 5h 9o 3 0g 300.000 5000.000 1394.00 61 2.38219630e+01 1.91411448e-02-6.67919154e-06 1.05127303e-09-6.15876805e-14 2 -3.23093973e+04-9.42580755e+01 1.82607262e+00 6.93466111e-02-4.93125140e-05 3 1.69848340e-08-2.26117657e-12-2.46578311e+04 2.41167544e+01 4 c3h5oh t06/10c 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 8.72477114e+00 1.63942712e-02-5.90852993e-06 9.53262253e-10-5.70318010e-14 2 -1.90496618e+04-1.97198674e+01 3.15011905e+00 1.28538274e-02 4.28438434e-05 3 -6.67818707e-08 2.80408237e-11-1.66413668e+04 1.35066359e+01-1.48710589e+04 4 tic4h7q2-i 5/ 6/96 thermc 4h 9o 4 0g 300.000 5000.000 1400.000 71 2.33848631e+01 1.87070035e-02-6.44021945e-06 1.00428123e-09-5.84468189e-14 2 -2.61180902e+04-8.76610135e+01 4.48426361e+00 6.61225007e-02-5.27349018e-05 3 2.18215585e-08-3.66788946e-12-1.98906586e+04 1.26719614e+01 4 iic4h7q2-i 7/15/96 thermc 4h 9o 4 0g 300.000 5000.000 1394.000 71 2.30500244e+01 1.92149194e-02-6.66622576e-06 1.04495725e-09-6.10370520e-14 2 -2.32086881e+04-8.39949885e+01 4.93055661e+00 6.05819201e-02-4.23665566e-05 3 1.49122008e-08-2.10978665e-12-1.68415495e+04 1.36228018e+01 4 iic4h7q2-t 7/15/96 thermc 4h 9o 4 0g 300.000 5000.000 1377.000 71 2.15070321e+01 2.05359839e-02-7.12383399e-06 1.11655053e-09-6.52112103e-14 2 -2.51117508e+04-7.43379783e+01 8.16274487e+00 4.34463050e-02-1.76972456e-05 3 4.88790666e-10 9.03915465e-13-1.96501749e+04 2.62067299e-01 4 iic4h7q2-t 7/15/96 thermc 4h 9o 4 0g 300.000 5000.000 1377.000 71 1.59247008e+01 2.59703101e-02-8.86821278e-06 1.37514707e-09-7.97105419e-14 2 -2.60824218e+04-6.16997349e+01-1.67881131e+00 6.41231428e-02-3.96458285e-05 3 1.23445155e-08-1.53325385e-12-1.96474971e+04 3.39348804e+01 4 c5h11-1 8/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1396.000 41 1.54992372e+01 2.38273176e-02-8.13845161e-06 1.26220569e-09-7.31730066e-14 2 -1.00988975e+03-5.58563592e+01-9.94216435e-01 5.99860809e-02-3.78318587e-05 3 1.21310895e-08-1.57042863e-12 4.97697538e+03 3.35998032e+01 4 c5h11-2 8/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1391.000 41 1.48744992e+01 2.40593799e-02-8.15587903e-06 1.25867109e-09-7.27223868e-14 2 -2.14733945e+03-5.17907576e+01 7.25187788e-01 4.97343569e-02-2.18806076e-05 3 2.09007834e-09 6.62752863e-13 3.46418370e+03 2.67485348e+01 4 c5h11-3 8/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1391.000 41 1.48744992e+01 2.40593799e-02-8.15587903e-06 1.25867109e-09-7.27223868e-14 2 -2.14733945e+03-5.24802393e+01 7.25187788e-01 4.97343569e-02-2.18806076e-05 3 2.09007834e-09 6.62752863e-13 3.46418370e+03 2.60590532e+01 4 c5h10-1 4/ 7/97 thermc 5h 10 0 0g 300.000 5000.000 1392.000 31 1.45851539e+01 2.24072471e-02-7.63348025e-06 1.18188966e-09-6.84385139e-14 2 -1.00898205e+04-5.23683936e+01-1.06223481e+00 5.74218294e-02-3.74486890e-05 3 1.27364989e-08-1.79609789e-12-4.46546666e+03 3.22739790e+01 4 c5h10-2 4/ 7/97 thermc 5h 10 0 0g 300.000 5000.000 1389.000 31 1.41109267e+01 2.28348272e-02-7.78626835e-06 1.20627491e-09-6.98795983e-14 2 -1.14336507e+04-5.01601163e+01-5.41560551e-01 5.39629918e-02-3.23508738e-05 3 9.77416037e-09-1.18534668e-12-5.98606169e+03 2.97142748e+01 4 c5h81-3 3/27/97 thermc 5h 8 0 0g 300.000 5000.000 1396.000 21 1.45574490e+01 1.80939266e-02-6.21671892e-06 9.67920254e-10-5.62629326e-14 2 1.22365462e+03-5.43889766e+01-2.32617433e+00 6.38696042e-02-5.57052591e-05 3 2.58049480e-08-4.83405924e-12 6.55183321e+03 3.42036513e+01 4 c5h91-3 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1392.000 21 1.41860454e+01 2.07128899e-02-7.06960617e-06 1.09607133e-09-6.35322208e-14 2 7.00496135e+03-5.14501773e+01-1.38013950e+00 5.57608487e-02-3.70143928e-05 3 1.26883901e-08-1.78538835e-12 1.25589824e+04 3.26441304e+01 4 c5h91-4 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1379.000 31 1.39904314e+01 1.99962562e-02-6.73105937e-06 1.03447598e-09-5.96148983e-14 2 1.36075123e+04-4.58753046e+01 2.07302224e-01 4.75322572e-02-2.55232300e-05 3 5.70570808e-09-2.53926602e-13 1.88300100e+04 2.97527890e+01 4 c5h91-5 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1392.000 31 1.41604486e+01 2.02710046e-02-6.90765357e-06 1.06972742e-09-6.19529514e-14 2 1.49795090e+04-4.72301324e+01-3.00352280e-01 5.29029897e-02-3.50199571e-05 3 1.21280172e-08-1.74459793e-12 2.01482388e+04 3.08938514e+01 4 c5h92-4 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1389.000 21 1.37128284e+01 2.11391857e-02-7.22186145e-06 1.12036442e-09-6.49675872e-14 2 5.66079366e+03-4.92475603e+01-8.61323386e-01 5.23106875e-02-3.19282664e-05 3 9.73236622e-09-1.17585595e-12 1.10386471e+04 3.00928924e+01 4 c5h92-5 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1389.000 31 1.36885460e+01 2.06966684e-02-7.05980383e-06 1.09401634e-09-6.33885833e-14 2 1.36345574e+04-4.50306538e+01 2.16350550e-01 4.94614176e-02-2.99438792e-05 3 9.17728978e-09-1.13613754e-12 1.86282306e+04 2.83575279e+01 4 c5h9o1-3 4/ 7/97 thermc 5h 9o 1 0g 300.000 5000.000 1393.000 31 1.86270165e+01 1.85189638e-02-6.21111137e-06 9.52916260e-10-5.48704082e-14 2 -4.97349374e+03-7.09678919e+01-2.22532588e+00 6.97271843e-02-5.42285799e-05 3 2.13591167e-08-3.36511599e-12 1.91826163e+03 3.99711270e+01 4 c5h9o2-4 4/ 7/97 thermc 5h 9o 1 0g 300.000 5000.000 1387.000 31 1.86104516e+01 1.87100216e-02-6.31627652e-06 9.73434030e-10-5.62316246e-14 2 -6.59575918e+03-7.05163465e+01-1.66449167e+00 6.51525448e-02-4.57159226e-05 3 1.55903830e-08-2.04144207e-12 4.10326271e+02 3.84890543e+01 4 c5h11o-1 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1391.000 41 1.73225378e+01 2.48217999e-02-8.48159842e-06 1.31587304e-09-7.63050620e-14 2 -1.83356880e+04-6.37681611e+01-9.02925873e-02 6.34116550e-02-4.09268668e-05 3 1.36982820e-08-1.89646466e-12-1.20333690e+04 3.05672313e+01 4 c5h11o-2 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1396.000 41 1.78183150e+01 2.44541516e-02-8.36505611e-06 1.29863054e-09-7.53356869e-14 2 -2.06350810e+04-6.67615213e+01-4.94527725e-01 6.73149844e-02-4.72324734e-05 3 1.75936532e-08-2.73651943e-12-1.42372243e+04 3.16370708e+01 4 c5h11o-3 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1396.000 41 1.78183150e+01 2.44541516e-02-8.36505611e-06 1.29863054e-09-7.53356869e-14 2 -2.06350810e+04-6.74510029e+01-4.94527725e-01 6.73149844e-02-4.72324734e-05 3 1.75936532e-08-2.73651943e-12-1.42372243e+04 3.09475892e+01 4 c5h11o2h-1 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1387.000 61 2.14180725e+01 2.62251472e-02-9.10691067e-06 1.42824507e-09-8.34473635e-14 2 -3.80401323e+04-8.39746734e+01 4.74596161e-01 7.38808098e-02-5.12216645e-05 3 1.87797149e-08-2.90291870e-12-3.05323779e+04 2.91362231e+01 4 c5h11o2h-2 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1390.000 61 2.21712264e+01 2.55540337e-02-8.86857346e-06 1.39034021e-09-8.12122040e-14 2 -4.06027396e+04-8.84830959e+01-2.68431172e-01 7.90975970e-02-5.89751277e-05 3 2.33029166e-08-3.83794655e-12-3.28329870e+04 3.17836191e+01 4 c5h11o2h-3 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1390.000 61 2.21712264e+01 2.55540337e-02-8.86857346e-06 1.39034021e-09-8.12122040e-14 2 -4.06027396e+04-8.84830959e+01-2.68431172e-01 7.90975970e-02-5.89751277e-05 3 2.33029166e-08-3.83794655e-12-3.28329870e+04 3.17836191e+01 4 c5h11o2-1 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1386.000 51 1.89702536e+01 2.60355552e-02-9.00706834e-06 1.40888868e-09-8.21618381e-14 2 -2.01253683e+04-6.97477616e+01 1.39788038e+00 6.52788893e-02-4.34224032e-05 3 1.57151743e-08-2.46631324e-12-1.36791222e+04 2.55411824e+01 4 c5h11o2-2 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1389.000 51 1.96655539e+01 2.53946113e-02-8.77477373e-06 1.37145913e-09-7.99350015e-14 2 -2.26521255e+04-7.38934310e+01 7.10786402e-01 7.03521821e-02-5.11565299e-05 3 2.03005197e-08-3.42470585e-12-1.59903126e+04 2.79113132e+01 4 c5h11o2-3 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1389.000 51 1.96655539e+01 2.53946113e-02-8.77477373e-06 1.37145913e-09-7.99350015e-14 2 -2.26521255e+04-7.38934310e+01 7.10786402e-01 7.03521821e-02-5.11565299e-05 3 2.03005197e-08-3.42470585e-12-1.59903126e+04 2.79113132e+01 4 c5h10ooh1-2 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-3 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-4 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-5 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1387.000 61 2.10114488e+01 2.40561226e-02-8.36616955e-06 1.31339875e-09-7.67917194e-14 2 -1.29757849e+04-7.89329903e+01 1.26957212e+00 6.92172253e-02-4.85626715e-05 3 1.80144791e-08-2.81415382e-12-5.92384799e+03 2.76017751e+01 4 c5h10ooh2-1 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh2-3 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10ooh2-4 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10ooh2-5 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh3-1 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh3-2 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10o1-2 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1382.000 61 1.83450823e+01 2.15894287e-02-7.59914917e-06 1.20265688e-09-7.07149348e-14 2 -2.52918816e+04-7.38748127e+01-2.50915891e+00 7.02820905e-02-5.23078154e-05 3 2.05330738e-08-3.37999472e-12-1.79263879e+04 3.83402738e+01 4 c5h10o1-3 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1370.000 61 1.85051134e+01 2.17909650e-02-7.74803799e-06 1.23453810e-09-7.29327086e-14 2 -2.62151881e+04-7.74524221e+01-2.70067147e+00 6.51234466e-02-3.97863209e-05 3 1.12983558e-08-1.18141056e-12-1.81611984e+04 3.87589334e+01 4 c5h10o1-4 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1371.000 61 1.77074517e+01 2.24725523e-02-7.98404192e-06 1.27146816e-09-7.50866945e-14 2 -3.63066445e+04-7.27392560e+01-3.94205066e+00 6.68440102e-02-4.09940878e-05 3 1.17684771e-08-1.26029870e-12-2.80943137e+04 4.58617150e+01 4 c5h10o1-5 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1457.000 61 2.13684109e+01 1.97321411e-02-7.12842160e-06 1.14789888e-09-6.83162787e-14 2 -3.89834904e+04-1.00032176e+02-3.02904503e+00 6.01320166e-02-2.12072490e-05 3 -4.91313274e-09 3.07577547e-12-2.91028862e+04 3.64698785e+01 4 c5h10o2-3 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1385.000 61 1.89379846e+01 2.10434849e-02-7.40107577e-06 1.17069402e-09-6.88106356e-14 2 -2.76228814e+04-7.74017673e+01-3.03891874e+00 7.46406721e-02-5.91275018e-05 3 2.46307903e-08-4.24312686e-12-2.01088998e+04 4.00106761e+01 4 c5h10o2-4 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1376.000 61 1.91186278e+01 2.12169126e-02-7.53764833e-06 1.20035780e-09-7.08866585e-14 2 -2.85216189e+04-8.03408390e+01-3.50702064e+00 7.13707278e-02-4.99483546e-05 3 1.76515898e-08-2.56653255e-12-2.03198734e+04 4.22612571e+01 4 c5h10ooh1-2o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh1-3o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh1-4o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh1-5o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1385.000 71 2.48666576e+01 2.56688838e-02-8.97169324e-06 1.41315614e-09-8.28158711e-14 2 -3.21479218e+04-9.51211738e+01 2.81997434e+00 7.72690504e-02-5.67282509e-05 3 2.23236523e-08-3.71501383e-12-2.43447483e+04 2.35135259e+01 4 c5h10ooh2-1o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh2-3o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1389.000 71 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71537284e+04-1.03435286e+02 2.08935173e+00 8.57156954e-02-7.04986902e-05 3 3.07497216e-08-5.51132533e-12-2.90970365e+04 2.50297599e+01 4 c5h10ooh2-4o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1389.000 71 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71537284e+04-1.03435286e+02 2.08935173e+00 8.57156954e-02-7.04986902e-05 3 3.07497216e-08-5.51132533e-12-2.90970365e+04 2.50297599e+01 4 c5h10ooh2-5o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh3-1o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh3-2o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1389.000 71 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71537284e+04-1.03435286e+02 2.08935173e+00 8.57156954e-02-7.04986902e-05 3 3.07497216e-08-5.51132533e-12-2.90970365e+04 2.50297599e+01 4 nc5ket12 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1389.000 61 2.34427049e+01 2.21540692e-02-7.74817880e-06 1.22107095e-09-7.15883644e-14 2 -4.99350593e+04-9.09970812e+01 5.64845658e-01 7.74889690e-02-6.00818427e-05 3 2.42432817e-08-4.02329880e-12-4.21262314e+04 3.12910774e+01 4 nc5ket13 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.27897549e+01 2.26387719e-02-7.89832354e-06 1.24260309e-09-7.27609759e-14 2 -5.00526193e+04-8.71676166e+01 2.53945153e+00 7.08645319e-02-5.32266350e-05 3 2.12906293e-08-3.56676536e-12-4.29988725e+04 2.14543054e+01 4 nc5ket14 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.27897549e+01 2.26387719e-02-7.89832354e-06 1.24260309e-09-7.27609759e-14 2 -5.00526193e+04-8.71676166e+01 2.53945153e+00 7.08645319e-02-5.32266350e-05 3 2.12906293e-08-3.56676536e-12-4.29988725e+04 2.14543054e+01 4 nc5ket15 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1383.000 61 2.21776239e+01 2.31939864e-02-8.09797899e-06 1.27464047e-09-7.46625107e-14 2 -4.75611599e+04-8.35091033e+01 3.22565144e+00 6.57620962e-02-4.52752542e-05 3 1.64810866e-08-2.54467139e-12-4.06876266e+04 1.90851234e+01 4 nc5ket21 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1379.000 61 2.17534680e+01 2.36666119e-02-8.28610759e-06 1.30663620e-09-7.66324076e-14 2 -5.12815467e+04-8.09340957e+01 4.56687437e+00 6.01978739e-02-3.82935508e-05 3 1.29220662e-08-1.89791227e-12-4.47703435e+04 1.29580830e+01 4 nc5ket23 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.31409808e+01 2.24801534e-02-7.87662916e-06 1.24282516e-09-7.29252729e-14 2 -5.36784029e+04-9.00538236e+01 1.09304151e-01 7.75997760e-02-5.94124810e-05 3 2.36744270e-08-3.89094338e-12-4.57495597e+04 3.32799795e+01 4 nc5ket24 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1385.000 61 2.25126387e+01 2.29495597e-02-8.02286486e-06 1.26389975e-09-7.40777420e-14 2 -5.38122195e+04-8.63788737e+01 2.19333641e+00 7.04050260e-02-5.15856312e-05 3 2.00741570e-08-3.28568948e-12-4.66368524e+04 2.29520202e+01 4 nc5ket25 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1382.000 61 2.19099644e+01 2.35018200e-02-8.22261497e-06 1.29606701e-09-7.59914647e-14 2 -5.13242006e+04-8.27708903e+01 2.76270425e+00 6.58724877e-02-4.45144578e-05 3 1.58213340e-08-2.38800145e-12-4.43093682e+04 2.11180678e+01 4 nc5ket31 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1382.000 61 2.17723599e+01 2.36116706e-02-8.25813864e-06 1.30129886e-09-7.62813000e-14 2 -5.13543364e+04-8.16385880e+01 3.14481499e+00 6.64310592e-02-4.75232545e-05 3 1.85573234e-08-3.11995924e-12-4.46228757e+04 1.89760116e+01 4 nc5ket32 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.29536744e+01 2.26192649e-02-7.91922638e-06 1.24883440e-09-7.32467701e-14 2 -5.36792159e+04-8.86117968e+01 7.24497110e-01 7.71622935e-02-6.10369902e-05 3 2.55909432e-08-4.44696298e-12-4.60989830e+04 3.00522534e+01 4 c5h10oh-1 1/14/99 thermc 5h 11o 1 0g 300.000 5000.000 1371.000 51 1.75642279e+01 2.33577469e-02-7.81503517e-06 1.19674654e-09-6.88114207e-14 2 -2.11605652e+04-6.19821034e+01 9.51873649e-01 5.58286144e-02-2.87750953e-05 3 5.54684921e-09 1.10578801e-14-1.48168651e+04 2.93877119e+01 4 c5h10oh-2 1/14/99 thermc 5h 11o 1 0g 300.000 5000.000 1390.000 51 1.72742775e+01 2.39409708e-02-8.07388576e-06 1.24188426e-09-7.15926603e-14 2 -2.31054055e+04-6.11106423e+01 4.68530877e-01 6.05595171e-02-3.75900684e-05 3 1.16488887e-08-1.41506375e-12-1.70158316e+04 3.00652481e+01 4 o2c5h10oh-1 1/14/99 thrmc 5h 11o 3 0g 300.000 5000.000 1395.000 61 2.06059936e+01 2.61750874e-02-8.92270421e-06 1.38184638e-09-8.00235870e-14 2 -4.07496333e+04-7.38943495e+01 2.70461132e+00 6.83289096e-02-4.77921008e-05 3 1.81238720e-08-2.90871344e-12-3.44822614e+04 2.22673007e+01 4 o2c5h10oh-2 1/14/99 thrmc 5h 11o 3 0g 300.000 5000.000 1398.000 61 2.15259930e+01 2.54039694e-02-8.65952886e-06 1.34110440e-09-7.76663740e-14 2 -4.32473477e+04-8.00796638e+01 1.89616952e+00 7.37918569e-02-5.55488679e-05 3 2.24979959e-08-3.79045894e-12-3.66230283e+04 2.45460172e+01 4 !wkm 12/10/10 c6h6 g 6/01c 6.h 6. 0. 0.g 200.000 6000.000 1000. 1 1.10809576e+01 2.07176746e-02-7.52145991e-06 1.22320984e-09-7.36091279e-14 2 4.30641035e+03-4.00413310e+01 5.04818632e-01 1.85020642e-02 7.38345881e-05 3 -1.18135741e-07 5.07210429e-11 8.55247913e+03 2.16412893e+01 9.96811598e+03 4 c*ccjc*c 3/1/95 z&b c 5h 7 0 0g 300.000 5000.000 1388.000 21 1.40879309e+01 1.62398907e-02-5.64768950e-06 8.86857524e-10-5.18698993e-14 2 1.76798698e+04-5.13735038e+01-2.94595603e+00 5.68783623e-02-4.31336497e-05 3 1.68169537e-08-2.67926433e-12 2.35156925e+04 3.98188778e+01 4 cc3h4 t12/81c 3h 4 0 0g 300.000 5000.00 1000.00 1 0.66999931e+01 0.10357372e-01-0.34551167e-05 0.50652949e-09-0.26682276e-13 2 0.30199051e+05-0.13378770e+02-0.24621047e-01 0.23197215e-01-0.18474357e-05 3 -0.15927593e-07 0.86846155e-11 0.32334137e+05 0.22729762e+02 0.3332728 e+05 4 c4h4 h6w/94c 4h 4 0 0g 300.000 3000.00 1000.00 1 0.66507092e+01 0.16129434e-01-0.71938875e-05 0.14981787e-08-0.11864110e-12 2 0.31195992e+05-0.97952118e+01-0.19152479e+01 0.52750878e-01-0.71655944e-04 3 0.55072423e-07-0.17286228e-10 0.32978504e+05 0.31419983e+02 4 c4h3-i ab1/93c 4h 3 0 0g 300.000 3000.00 1000.00 1 0.90978165e+01 0.92207119e-02-0.33878441e-05 0.49160498e-09-0.14529780e-13 2 0.56600574e+05-0.19802597e+02 0.20830412e+01 0.40834274e-01-0.62159685e-04 3 0.51679358e-07-0.17029184e-10 0.58005129e+05 0.13617462e+02 4 c4h612 a 8/83c 4h 6 0 0g 300. 3000. 1000.0 1 0.1781557e 02 -0.4257502e-02 0.1051185e-04 -0.4473844e-08 0.5848138e-12 2 0.1267342e 05 -0.6982662e 02 0.1023467e 01 0.3495919e-01 -0.2200905e-04 3 0.6942272e-08 -0.7879187e-12 0.1811799e 05 0.1975066e 02 0.1950807e+05 4 c6h5 t04/02c 6.h 5. 0. 0.g 200.000 6000.000 1000. 1 1.08444762e+01 1.73212473e-02-6.29233249e-06 1.02369961e-09-6.16216828e-14 2 3.55598475e+04-3.53735134e+01 2.10306633e-01 2.04745507e-02 5.89743006e-05 3 -1.01534255e-07 4.47105660e-11 3.95468722e+04 2.52910455e+01 4.08610970e+04 4 c4h2 121686c 4h 2 g 0300.00 5000.00 1000.00 1 0.09031407e+02 0.06047253e-01-0.01948789e-04 0.02754863e-08-0.01385608e-12 2 0.05294736e+06-0.02385068e+03 0.04005192e+02 0.01981000e+00-0.09865877e-04 3 -0.06635158e-07 0.06077413e-10 0.05424065e+06 0.01845737e+02 4 c4h3-n h6w/94c 4h 3 0 0g 300.000 3000.00 1000.00 1 0.54328279e+01 0.16860981e-01-0.94313109e-05 0.25703895e-08-0.27456309e-12 2 0.61600680e+05-0.15673981e+01-0.31684113e+00 0.46912100e-01-0.68093810e-04 3 0.53179921e-07-0.16523005e-10 0.62476199e+05 0.24622559e+02 4 c4h5-n h6w/94c 4h 5 0 0g 300.000 3000.00 1000.00 1 0.98501978e+01 0.10779008e-01-0.13672125e-05-0.77200535e-09 0.18366314e-12 2 0.38840301e+05-0.26001846e+02 0.16305321e+00 0.39830137e-01-0.34000128e-04 3 0.15147233e-07-0.24665825e-11 0.41429766e+05 0.23536163e+02 4 c4h5-i h6w/94c 4h 5 0 0g 300.000 3000.00 1000.00 1 0.10229092e+02 0.94850138e-02-0.90406445e-07-0.12596100e-08 0.24781468e-12 2 0.34642812e+05-0.28564529e+02-0.19932900e-01 0.38005672e-01-0.27559450e-04 3 0.77835551e-08 0.40209383e-12 0.37496223e+05 0.24394241e+02 4 ch3chchco t03/97c 4h 5o 1 0g 200.000 6000.000 1000.0 1 8.90967920e+00 1.34364140e-02-7.62977390e-07-1.69114810e-09 2.95540440e-13 2 1.48898740e+03-1.79662460e+01-1.08199860e+00 3.64929760e-02-1.52255950e-05 3 -5.62607170e-18 2.16113750e-21 3.56713230e+03 3.27142550e+01 4.73074990e+03 4 ch2chchcho t03/97c 4h 5o 1 0g 200.000 6000.000 1000.0 1 8.90967920e+00 1.34364140e-02-7.62977390e-07-1.69114810e-09 2.95540440e-13 2 1.48898740e+03-1.79662460e+01-1.08199860e+00 3.64929760e-02-1.52255950e-05 3 -5.62607170e-18 2.16113750e-21 3.56713230e+03 3.27142550e+01 4.73074990e+03 4 c4h6o25 t 3/97c 4h 6o 1 0g 200.000 5000.000 1000.0 1 8.60658242e+00 2.08310051e-02-8.42229481e-06 1.56717640e-09-1.09391202e-13 2 -1.76177415e+04-2.32464750e+01 2.67053463e+00 4.92586420e-03 8.86967406e-05 3 -1.26219194e-07 5.23991321e-11-1.46572472e+04 1.45722395e+01-1.30831522e+04 4 c2h3choch2 a 8/83c 4h 6o 1 0g 300. 3000. 1000.0 1 -4.72093360e+00 3.91413780e-02-6.52872650e-06-7.68209500e-09 2.51473310e-12 2 1.75352252e+03 5.17190420e+01 7.97985440e-01 3.44034320e-02-1.24598510e-05 3 -5.18062790e-18 1.99359540e-21-6.48927540e+02 2.18896980e+01 1.00654250e+03 4 c4h5-2 h6w/94c 4h 5 0 0g 300.000 3000.00 1000.00 1 1.45381710e+01-8.56770560e-03 2.35595240e-05-1.36763790e-08 2.44369270e-12 2 3.32590950e+04-4.53694970e+01 2.96962800e+00 2.44422450e-02-9.12514240e-06 3 -4.24668710e-18 1.63047280e-21 3.55033160e+04 1.20360510e+01 3.73930550e+04 4 c4h6-2 a 8/83c 4h 6 0 0g 300. 3000. 1000.0 1 9.0338133e+00 8.2124510e-03 7.1753952e-06 -5.8834334e-09 1.0343915e-12 2 1.4335068e+04 -2.0985762e+01 2.1373338e+00 2.6486229e-02 -9.0568711e-06 3 -5.5386397e-19 2.1281884e-22 1.5710902e+04 1.3529426e+01 1.7488676e+04 4 c4h6o23 t 3/97c 4h 6o 1 0g 200.000 5000.000 1000.0 1 8.60658242e+00 2.08310051e-02-8.42229481e-06 1.56717640e-09-1.09391202e-13 2 -1.32392815e+04-2.32464750e+01 2.67053463e+00 4.92586420e-03 8.86967406e-05 3 -1.26219194e-07 5.23991321e-11-1.02787872e+04 1.45722395e+01-1.30831522e+04 4 ch3chchcho t 5/92c 4h 6o 1 0g 298.150 3000.0 1000.0 1 1.98794540e+01-2.09130550e-02 4.45360508e-05-2.60374870e-08 4.86836120e-12 2 -1.95278768e+04-6.87200320e+01-1.55577660e+00 4.09640630e-02-1.69868810e-05 3 -6.00928140e-18 2.31368530e-21-1.41394920e+04 3.74707580e+01-1.29340710e+04 4 c4h4o t03/97c 4h 4o 1 0g 200.000 6000.0 1000.0 1 9.38935003e+00 1.40291241e-02-5.07755110e-06 8.24137332e-10-4.95319963e-14 2 -8.68241814e+03-2.79162920e+01 8.47469463e-01 1.31773796e-02 5.99735901e-05 3 -9.71562904e-08 4.22733796e-11-5.36785445e+03 2.14945172e+01-4.17166616e+03 4 h2cc l12/89h 2c 2 0 0g 200.000 6000.000 1000.000 1 0.42780340e+01 0.47562804e-02-0.16301009e-05 0.25462806e-09-0.14886379e-13 2 0.48316688e+05 0.64023701e+00 0.32815483e+01 0.69764791e-02-0.23855244e-05 3 -0.12104432e-08 0.98189545e-12 0.48621794e+05 0.59203910e+01 0.49887266e+05 4 h2c4o 120189h 2c 4o 1 g 0300.00 4000.00 1000.00 1 0.01026888e+03 0.04896164e-01-0.04885081e-05-0.02708566e-08 0.05107013e-12 2 0.02346903e+06-0.02815985e+03 0.04810971e+02 0.01313999e+00 0.09865073e-05 3 -0.06120720e-07 0.01640003e-10 0.02545803e+06 0.02113424e+02 4 c6h2 p 1/93c 6h 2 0 0g 300.000 3000.00 1000.00 1 0.13226281e+02 0.73904302e-02-0.22715381e-05 0.25875217e-09-0.55356741e-14 2 0.80565258e+05-0.41201176e+02-0.15932624e+01 0.80530145e-01-0.14800649e-03 3 0.13300031e-06-0.45332313e-10 0.83273227e+05 0.27980873e+02 4 c6h3 h6w/94c 6h 3 0 0g 300.000 3000.00 1000.00 1 0.58188343e+01 0.27933408e-01-0.17825427e-04 0.53702536e-08-0.61707627e-12 2 0.85188250e+05-0.92147827e+00 0.11790619e+01 0.55547360e-01-0.73076168e-04 3 0.52076736e-07-0.15046964e-10 0.85647312e+05 0.19179199e+02 4 l-c6h4 h6w/94c 6h 4 0 0g 300.000 3000.00 1000.00 1 0.12715182e+02 0.13839662e-01-0.43765440e-05 0.31541636e-09 0.46619026e-13 2 0.57031148e+05-0.39464600e+02 0.29590225e+00 0.58053318e-01-0.67766756e-04 3 0.43376762e-07-0.11418864e-10 0.60001371e+05 0.22318970e+02 4 c-c6h4 h6w/94c 6h 4 0 0g 300.000 3000.00 1000.00 1 0.13849209e+02 0.78807920e-02 0.18243836e-05-0.21169166e-08 0.37459977e-12 2 0.47446340e+05-0.50404953e+02-0.30991268e+01 0.54030564e-01-0.40839004e-04 3 0.10738837e-07 0.98078490e-12 0.52205711e+05 0.37415207e+02 4 c6h5oh l 4/84c 6h 6o 1 0g 300.000 5000.000 1000. 1 0.14912073e+02 0.18378135e-01-0.61983128e-05 0.91983221e-09-0.49209565e-13 2 -0.18375199e+05-0.55924103e+02-0.16956539e+01 0.52271299e-01-0.72024050e-05 3 -0.35859603e-07 0.20449073e-10-0.13284121e+05 0.32542160e+02-0.11594207e+05 4 c6h5o t05/02c 6.h 5.o 1. 0.g 200.000 6000.000 1000. 1 1.37221720e+01 1.74688771e-02-6.35504520e-06 1.03492308e-09-6.23410504e-14 2 2.87274751e+02-4.88181680e+01-4.66204455e-01 4.13443975e-02 1.32412991e-05 3 -5.72872769e-08 2.89763707e-11 4.77858391e+03 2.76990274e+01 6.49467016e+03 4 p-c6h4o2 ak0405c 6h 4o 2 0g 270.000 3000.000 1370.00 1 1.23423732e+01 2.40612690e-02-1.16565184e-05 2.71393504e-09-2.47643065e-13 2 -2.06185312e+04-4.08244024e+01-2.43170113e+00 6.87937608e-02-6.41382837e-05 3 3.08126855e-08-5.99832072e-12-1.65696994e+04 3.48309430e+01 4 p-c6h3o2 ak0505c 6h 3o 2 0g 270.000 3000.000 1290.00 1 1.22963699e+01 2.15055142e-02-1.07516136e-05 2.57528163e-09-2.41023652e-13 2 1.15428998e+04-3.72584002e+01-1.57852347e+00 6.55376473e-02-6.50308721e-05 3 3.32026554e-08-6.86665555e-12 1.51750093e+04 3.31518638e+01 4 o-c6h4o2 ak0405c 6h 4o 2 0g 270.000 3000.000 1370.00 1 1.23614349e+01 2.40491397e-02-1.16529057e-05 2.71332785e-09-2.47593219e-13 2 -1.67079717e+04-4.00310857e+01-2.36179712e+00 6.86058343e-02-6.39129516e-05 3 3.06903009e-08-5.97357785e-12-1.26704431e+04 3.53724482e+01 4 c5h5 tak0505c 5h 5 0 0g 298.150 3500.000 969.35 1 1.33675715e+00 3.24793912e-02-1.67587774e-05 4.03514137e-09-3.70739036e-13 2 3.00730524e+04 1.60315806e+01-3.97555452e+00 7.41370991e-02-1.11803345e-04 3 9.04628776e-08-2.80999747e-11 3.01769405e+04 3.67153636e+01 4 c5h6 t 1/90c 5h 6 0 0g 200.000 6000.000 1000. 1 0.99757848e+01 0.18905543e-01-0.68411461e-05 0.11099340e-08-0.66680236e-13 2 0.11081693e+05-0.32209454e+02 0.86108957e+00 0.14804031e-01 0.72108895e-04 3 -0.11338055e-06 0.48689972e-10 0.14801755e+05 0.21353453e+02 0.16152485e+05 4 c5h5oh 5/ 2/91 the.mc 5h 6o 1 0g 300.000 5000.000 1398.000 11 1.53433477e+01 1.50754059e-02-5.13553582e-06 7.95807816e-10-4.61311517e-14 2 -1.19645453e+04-5.85204430e+01-4.26822012e+00 6.62446749e-02-5.68494038e-05 3 2.46858526e-08-4.26820696e-12-5.75581338e+03 4.47962850e+01 4 c5h4o t 8/99c 5.h 4.o 1. 0.g 200.000 6000.000 1000. 1 1.00806824e+01 1.61143465e-02-5.83314509e-06 9.46759320e-10-5.68972206e-14 2 1.94364771e+03-2.94521623e+01 2.64576497e-01 3.34873827e-02 1.67738470e-06 3 -2.96207455e-08 1.54431476e-11 5.11159287e+03 2.35409513e+01 6.64245999e+03 4 c5h5o 5/16/90 thermc 5h 5o 1 0g 300.000 5000.000 1392.000 01 1.48322894e+01 1.40483376e-02-4.92302051e-06 7.77041219e-10-4.56103939e-14 2 1.45523665e+04-5.73228191e+01-2.83112840e+00 5.67277287e-02-4.44757303e-05 3 1.74924447e-08-2.76004847e-12 2.04992154e+04 3.69634411e+01 4 c5h4oh t 8/99c 5.h 5.o 1. 0.g 200.000 6000.000 1000. 1 1.33741248e+01 1.51996469e-02-5.45685046e-06 8.80944866e-10-5.27493258e-14 2 2.20358027e+03-4.59569069e+01-1.28398054e+00 4.90298511e-02-1.35844414e-05 3 -2.92983743e-08 1.90820619e-11 6.37364803e+03 3.08073591e+01 8.00114499e+03 4 c6h5oo 3/26/ 9 thermc 6h 5o 2 0g 300.000 5000.000 1403.000 11 1.67078262e+01 1.62326229e-02-5.47969630e-06 8.43510060e-10-4.86562431e-14 2 8.14242915e+03-6.08346973e+01-2.99164672e+00 7.03857150e-02-6.34400574e-05 3 2.91548920e-08-5.30706938e-12 1.41320240e+04 4.20142955e+01 4 c6h5ooh 3/26/ 9 thermc 6h 6o 2 0g 300.000 5000.000 1404.000 21 1.92317474e+01 1.63154699e-02-5.53448904e-06 8.55059974e-10-4.94583790e-14 2 -1.01971012e+04-7.61674471e+01-4.03105975e+00 7.96101888e-02-7.21655013e-05 3 3.27610696e-08-5.85584239e-12-3.10973017e+03 4.54324978e+01 4 c6h4oh 4/ 9/ 9 thermc 6h 5o 1 0g 300.000 5000.000 1402.000 11 1.73187560e+01 1.36366984e-02-4.68316332e-06 7.29071204e-10-4.23805358e-14 2 1.14990276e+04-6.89986593e+01-5.99875435e+00 8.59063379e-02-9.12525636e-05 3 4.72275890e-08-9.35576749e-12 1.78621926e+04 4.99931427e+01 4 hoc6h4oh 4/ 9/ 9 thermc 6h 6o 2 0g 300.000 5000.000 1405.000 21 2.31394847e+01 1.31873680e-02-4.49072464e-06 6.95268891e-10-4.02643108e-14 2 -4.25885990e+04-1.02692352e+02-8.68529064e+00 1.17282933e-01-1.33754802e-04 3 7.16697462e-08-1.44385730e-11-3.44903827e+04 5.77087257e+01 4 oc6h4oh 4/ 9/ 9 thermc 6h 5o 2 0g 300.000 5000.000 1403.000 11 2.22718210e+01 1.21038561e-02-4.18429526e-06 6.54475399e-10-3.81746504e-14 2 -2.34827539e+04-9.61035467e+01-8.02205657e+00 1.09403210e-01-1.23489276e-04 3 6.56286805e-08-1.31527870e-11-1.55949156e+04 5.72175202e+01 4 p-oc6h5oj wkm c 6o 2h 5 0g 300.000 5000.000 1400.000 01 1.82799770e+01 1.59280974e-02-5.50765220e-06 8.61649836e-10-5.02677539e-14 2 -6.25907994e+01-7.25809444e+01-3.29683290e+00 7.27365977e-02-6.36158220e-05 3 2.80683553e-08-4.92279426e-12 6.73402222e+03 4.09349895e+01 4 o-oc6h5oj wkm c 6o 2h 5 0g 300.000 5000.000 1400.000 01 1.84625733e+01 1.57607263e-02-5.44671499e-06 8.51765760e-10-4.96759541e-14 2 -1.72770226e+02-7.28742484e+01-2.65459198e+00 7.17179095e-02-6.31552372e-05 3 2.81132946e-08-4.97463333e-12 6.45283150e+03 3.81123139e+01 4 c#cc*ccj glar c 5h 5 0 0g 300.000 5000.000 1396.000 11 1.41230912e+01 1.14233190e-02-3.95851276e-06 6.20128961e-10-3.62097887e-14 2 4.25158384e+04-5.02942871e+01-6.16143558e-01 5.06466579e-02-4.48561743e-05 3 2.02459419e-08-3.64542145e-12 4.71532377e+04 2.71623299e+01 4 c5h6-l 2/ 5/ 9 thermc 5h 6 0 0g 300.000 5000.000 1372.000 21 1.29600892e+01 1.48953758e-02-5.23622902e-06 8.27916389e-10-4.86464523e-14 2 2.38180800e+04-4.25312093e+01 3.58448213e+00 3.24459626e-02-1.70150991e-05 3 4.22715914e-09-4.18452556e-13 2.76514681e+04 9.60644208e+00 4 cj*cc*cc*o 2/ 5/ 9 thermc 5h 5o 1 0g 300.000 5000.000 1396.000 21 1.62360823e+01 1.18297101e-02-4.11454219e-06 6.46026823e-10-3.77767639e-14 2 1.93499885e+04-5.83498817e+01-5.06628841e-01 6.04671965e-02-5.97396749e-05 3 2.96804228e-08-5.76240010e-12 2.42765544e+04 2.82994148e+01 4 c*cc*ccj*o 2/ 5/ 9 thermc 5h 5o 1 0g 300.000 5000.000 1399.000 11 1.53178248e+01 1.27352911e-02-4.35882964e-06 6.76912763e-10-3.92771371e-14 2 7.60582726e+03-5.43599625e+01-2.18492198e-01 5.92100223e-02-5.89241174e-05 3 2.97411920e-08-5.85244770e-12 1.20600764e+04 2.55968530e+01 4 cj*cc*o 4/ 8/94 thermc 3h 3o 1 0g 300.000 5000.000 1402.000 11 1.07482537e+01 6.19822688e-03-2.06130981e-06 3.14418872e-10-1.80309517e-14 2 1.51410162e+04-3.01266033e+01 1.46654466e+00 3.23390476e-02-3.05588208e-05 3 1.44081861e-08-2.65600505e-12 1.78850058e+04 1.80850321e+01 4 c5h3o tak0905c 5h 3o 1 0g 300.000 3500.000 1500.00 1 1.19961781e+01 1.34287065e-02-5.90045309e-06 1.22553862e-09-9.86114716e-14 2 2.89592010e+04-4.07548249e+01-3.03242604e+00 5.43937201e-02-4.95018348e-05 3 2.25523751e-08-4.10727920e-12 3.35644081e+04 3.78374823e+01 4 c5h7 1/22/ 9 wkm c 5h 7 0 0g 300.000 5000.000 1377.000 31 1.36630213e+01 1.68061358e-02-5.98746539e-06 9.55341072e-10-5.64951981e-14 2 1.27238941e+04-5.46331286e+01-6.75118368e+00 6.06461693e-02-4.01260152e-05 3 1.22051562e-08-1.33459844e-12 2.01365277e+04 5.62694938e+01 4 oc5h7o 1/22/ 9 wkm c 5h 7o 2 0g 300.000 5000.000 1375.000 31 1.65416953e+01 1.86677673e-02-6.44836048e-06 1.00787611e-09-5.87521858e-14 2 -2.82017168e+04-5.47258181e+01 4.88394767e+00 4.03401300e-02-1.97774150e-05 3 3.68903501e-09-3.40202384e-14-2.35295942e+04 9.97070337e+00 4 c*ccjc*coh 10/6/95 z&b c 5h 7o 1 0g 300.000 5000.000 1397.000 31 1.67465815e+01 1.58357240e-02-5.44954706e-06 8.49881387e-10-4.94743246e-14 2 -4.30972870e+03-6.19378748e+01-2.91175436e+00 6.69362484e-02-5.71603047e-05 3 2.48753749e-08-4.33243894e-12 1.96441523e+03 4.17454344e+01 4 c*cc*ccj z&b c 5h 7 0 0g 300.000 5000.000 1386.000 21 1.47302883e+01 1.59030900e-02-5.57729508e-06 8.80604825e-10-5.16963733e-14 2 1.74050791e+04-5.42670706e+01-1.60087476e+00 5.38764703e-02-3.96302225e-05 3 1.49599474e-08-2.31995284e-12 2.31199746e+04 3.35492960e+01 4 c*cc*cc 3/1/95 z&b c 5h 8 0 0g 300.000 5000.000 1395.000 21 1.41303131e+01 1.81877961e-02-6.19208788e-06 9.58333792e-10-5.54785472e-14 2 2.25907168e+03-5.11705577e+01-1.19376866e+00 5.65474329e-02-4.39472481e-05 3 1.82341266e-08-3.12226566e-12 7.36084709e+03 3.02808980e+01 4 c*cc*ccoh 1/23/ 9 wkm c 5h 8o 1 0g 300.000 5000.000 1396.000 31 1.63079670e+01 1.79957763e-02-6.03115896e-06 9.23992259e-10-5.31254053e-14 2 -1.58204603e+04-5.84137244e+01-5.31488384e-01 6.06983915e-02-4.81499862e-05 3 2.00308244e-08-3.38987282e-12-1.03301302e+04 3.07961436e+01 4 c*ccjc*o z&b c 4h 5o 1 0g 300.000 5000.000 1385.000 11 1.22833215e+01 1.26428506e-02-4.31034879e-06 6.68415867e-10-3.87693974e-14 2 1.86818728e+03-3.84807909e+01-4.83886977e-01 4.23431670e-02-3.05389089e-05 3 1.11441978e-08-1.63863920e-12 6.28635090e+03 3.00860103e+01 4 oc4h6o 1/23/ 9 wkm c 4h 6o 2 0g 300.000 5000.000 1382.000 31 1.41894774e+01 1.53345510e-02-5.24594862e-06 8.14655154e-10-4.72759368e-14 2 -4.10001835e+04-4.43771751e+01 4.21628848e+00 3.57422725e-02-2.04226185e-05 3 5.63821367e-09-5.88888993e-13-3.72055911e+04 1.02814620e+01 4 oc4h5o 1/23/ 9 wkm c 4h 5o 2 0g 300.000 5000.000 1388.000 21 1.32138775e+01 1.37339051e-02-4.62639517e-06 7.10941370e-10-4.09538499e-14 2 -2.16535271e+04-3.64185255e+01 4.60550978e+00 3.30498712e-02-2.13102363e-05 3 7.37021089e-09-1.08289438e-12-1.85460831e+04 1.01599453e+01 4 hoc*cc*o 1/26/ 9 wkm c 3h 4o 2 0g 300.000 5000.000 1413.000 21 1.66505478e+01 6.11745137e-03-2.09080785e-06 3.24985683e-10-1.88875073e-14 2 -3.82179939e+04-6.36794754e+01-2.01837189e+00 6.26539783e-02-6.73359280e-05 3 3.39430425e-08-6.48917648e-12-3.31367523e+04 3.18162860e+01 4 hoc*ccj*o 1/26/ 9 wkm c 3h 3o 2 0g 300.000 5000.000 1414.000 11 1.52720985e+01 5.02586331e-03-1.68408578e-06 2.58390706e-10-1.48849424e-14 2 -1.98506828e+04-5.54641734e+01 6.07270082e-01 4.96011303e-02-5.32300885e-05 3 2.68392951e-08-5.13094510e-12-1.58814562e+04 1.94817133e+01 4 !wkm therm from princeton days !c2h2oh 1/26/ 9 wkm c 2h 3o 1 0g 300.000 5000.000 1470.000 11 ! 6.93453102e+00 7.23098468e-03-1.99956432e-06 1.43274685e-10 5.18910992e-15 2 ! 1.28905371e+04-1.02350453e+01 1.43806872e+00 2.93422585e-02-2.90685031e-05 3 ! 1.38331994e-08-2.56485091e-12 1.32889028e+04 1.50985534e+01 4 !Hf from average of atomisation technique of cbs-qb3, cbs-apno and g3. Frequencies from !tight mp2/6-311g(d,p) calc, scaled by 0.9496. Hindered rotor accounted for. !This is the minimum energy trans conformer c2h2oh h 3c 2o 1 0g 300.00 5000.00 1000.00 1 6.81339897e+00 8.05827723e-03-3.11728612e-06 5.54590896e-10-3.71804255e-14 2 1.31583034e+04-1.09863525e+01 5.62397968e-01 2.64598620e-02-2.28453705e-05 3 9.14478695e-09-1.06711936e-12 1.48374643e+04 2.10439544e+01 4 o2cchooj z&b c 2h 1o 4 0g 300.000 5000.000 1682.000 01 1.09910849e+01 7.46985861e-03-2.75568271e-06 4.51353051e-10-2.72108652e-14 2 -3.51335323e+04-2.11652231e+01 8.91497688e+00 8.60571847e-03 5.24416766e-07 3 -2.79301331e-09 7.62963051e-13-3.40867754e+04-8.72978273e+00 4 hcoh mar94 c 1h 2o 1 0g 300. 5000. 1398. 1 9.18749272e 00 1.52011152e-03-6.27603516e-07 1.09727989e-10-6.89655128e-15 2 7.81364593e 03-2.73434214e 01-2.82157421e 00 3.57331702e-02-3.80861580e-05 3 1.86205951e-08-3.45957838e-12 1.12956672e 04 3.48487757e 01 4 c2h3oh 2/ 3/ 9 thermc 2h 4o 1 0g 300.000 5000.000 1410.000 11 8.32598158e+00 8.03387281e-03-2.63928405e-06 3.98410726e-10-2.26551155e-14 2 -1.83221436e+04-2.02080305e+01-1.27972260e-01 3.38506073e-02-3.30644935e-05 3 1.64858739e-08-3.19935455e-12-1.59914544e+04 2.30438601e+01 4 o2ch2cho boz_03c 2h 3o 3 0g 300.000 5000.000 1393.000 01 1.11807543E+01 9.14479256E-03-3.15089833E-06 4.91944238E-10-2.86639180E-14 2 -1.55790331E+04-2.87892740E+01-1.29465843E+00 4.44936393E-02-4.26577074E-05 3 2.07391950E-08-3.96828771E-12-1.18275628E+04 3.60778797E+01 4 ho2ch2co boz_03c 2h 3o 3 0g 300.000 5000.000 1386.000 01 1.04146322E+01 1.12680116E-02-5.17494839E-06 1.00333285E-09-6.68165911E-14 2 -1.40955672E+04-2.27894400E+01 2.22681686E+00 3.56781380E-02-3.26401909E-05 3 1.47651988E-08-2.64794380E-12-1.18735095E+04 1.91581197E+01 4 !!!! !!! !!! !!! added for mani butanol mech !!! nc4h9oh 2/12/ 9 thermc 4h 10o 1 0g 300.000 5000.000 1404.000 41 1.49262803e+01 2.15140503e-02-7.28619800e-06 1.12363099e-09-6.48833180e-14 2 -4.06081405e+04-5.23687225e+01-6.33228274e-01 5.61201189e-02-3.58348685e-05 3 1.14386491e-08-1.42875375e-12-3.50657543e+04 3.17521588e+01 4 c4h8oh-1 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1405.000 41 1.48734893e+01 1.90136213e-02-6.42348232e-06 9.88881867e-10-5.70317709e-14 2 -1.85084580e+04-5.03291171e+01 9.92816677e-01 5.09978376e-02-3.43044074e-05 3 1.19151741e-08-1.67980076e-12-1.36663743e+04 2.43356323e+01 4 c4h8oh-2 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1503.000 41 1.40357398e+01 1.94173155e-02-6.50230141e-06 9.95481694e-10-5.72034525e-14 2 -1.67631276e+04-4.41162528e+01 1.20329680e+00 4.40218297e-02-2.12295754e-05 3 3.03714993e-09 3.72027554e-13-1.18622440e+04 2.65515175e+01 4 c4h8oh-3 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1503.000 41 1.40357398e+01 1.94173155e-02-6.50230141e-06 9.95481694e-10-5.72034525e-14 2 -1.67631276e+04-4.41162528e+01 1.20329680e+00 4.40218297e-02-2.12295754e-05 3 3.03714993e-09 3.72027554e-13-1.18622440e+04 2.65515175e+01 4 c4h8oh-4 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1406.000 41 1.45278553e+01 1.93383439e-02-6.54321028e-06 1.00843938e-09-5.82077572e-14 2 -1.55405137e+04-4.73600837e+01 1.92786983e-01 5.14523708e-02-3.32585119e-05 3 1.07551079e-08-1.36211928e-12-1.04657146e+04 3.00450977e+01 4 c4h6oh1-43 12/22/8 thermc 4h 7o 1 0g 300.000 5000.000 1395.000 21 1.32533733e+01 1.61728245e-02-5.45336602e-06 8.38721928e-10-4.83472996e-14 2 -7.09773596e+03-4.27798406e+01 5.46057117e-01 4.58530232e-02-3.19247307e-05 3 1.15775262e-08-1.72120410e-12-2.69575051e+03 2.54486970e+01 4 c4h7oh1-1 1/ 9/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1400.000 31 1.44612867e+01 1.71471992e-02-5.75989418e-06 8.83304217e-10-5.08053961e-14 2 -2.79941834e+04-5.06228722e+01-1.18168398e+00 5.97645754e-02-5.14756807e-05 3 2.34495059e-08-4.30429836e-12-2.31416659e+04 3.12800130e+01 4 c4h6oh1-13 1/ 9/ 9 thrmc 4h 7o 1 0g 300.000 5000.000 1401.000 21 1.40552233e+01 1.54543967e-02-5.19600255e-06 7.97456597e-10-4.58972706e-14 2 -9.84732268e+03-4.96781050e+01-1.44169033e+00 5.77093464e-02-5.03763475e-05 3 2.29680586e-08-4.19598463e-12-5.06515180e+03 3.14119049e+01 4 c4h5oh-13 1/ 9/ 9 thermc 4h 6o 1 0g 300.000 5000.000 1405.000 21 1.42092565e+01 1.28599656e-02-4.31562002e-06 6.61230974e-10-3.80036953e-14 2 -1.42204459e+04-5.00577460e+01-1.78823113e+00 6.21534945e-02-6.31373658e-05 3 3.21780373e-08-6.33964294e-12-9.81971868e+03 3.16907923e+01 4 c4h7oh2-1 12/22/ 8 thermc 4h 8o 1 0g 300.000 5000.000 1386.000 31 1.28147192e+01 1.86083756e-02-6.28026171e-06 9.66423450e-10-5.57277452e-14 2 -2.53363676e+04-4.02404767e+01 1.64307376e+00 4.05262150e-02-2.08714251e-05 3 4.42296912e-09-1.58661274e-13-2.10384127e+04 2.12411211e+01 4 c4h7oh1-4 12/22/ 8 thermc 4h 8o 1 0g 300.000 5000.000 1399.000 31 1.36751746e+01 1.79085154e-02-6.04472085e-06 9.30195942e-10-5.36379271e-14 2 -2.48675726e+04-4.43697900e+01-5.01376483e-01 5.12577299e-02-3.59905477e-05 3 1.31423364e-08-1.96122769e-12-1.99888259e+04 3.16483932e+01 4 c2h3oh 2/ 3/ 9 thermc 2h 4o 1 0g 300.000 5000.000 1410.000 11 8.32598158e+00 8.03387281e-03-2.63928405e-06 3.98410726e-10-2.26551155e-14 2 -1.83221436e+04-2.02080305e+01-1.27972260e-01 3.38506073e-02-3.30644935e-05 3 1.64858739e-08-3.19935455e-12-1.59914544e+04 2.30438601e+01 4 c4h5 h6w/94c 4h 5 0 0g 300.000 3000.000 1 0.98501978e+01 0.10779008e-01-0.13672125e-05-0.77200535e-09 0.18366314e-12 2 0.38840301e+05-0.26001846e+02 0.16305321e+00 0.39830137e-01-0.34000128e-04 3 0.15147233e-07-0.24665825e-11 0.41429766e+05 0.23536163e+02 4 sc4h9oh 5/15/10 thermc 4h 10o 1 0g 300.000 5000.000 1399.000 41 1.61286666e+01 1.96312575e-02-6.46853793e-06 9.80178833e-10-5.59417724e-14 2 -4.30695121e+04-5.97111570e+01-3.14971073e-01 5.54805197e-02-3.42666346e-05 3 9.72620655e-09-9.04559948e-13-3.72415744e+04 2.92787758e+01 4 sc4h8ohm 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1486.000 41 1.62323637e+01 1.77621189e-02-5.98899323e-06 9.22205005e-10-5.32394983e-14 2 -1.77676827e+04-5.82256275e+01 1.27641612e+00 4.58145342e-02-2.16701918e-05 3 2.18504122e-09 7.16497136e-13-1.20187032e+04 2.43183444e+01 4 sc4h8oh-1 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1484.000 41 1.46214981e+01 1.85848519e-02-6.15342339e-06 9.35523496e-10-5.35175724e-14 2 -2.14683115e+04-4.79355331e+01 2.69661428e+00 3.96410714e-02-1.59800743e-05 3 1.23395286e-10 9.71728994e-13-1.67435035e+04 1.83604832e+01 4 sc4h8oh-2 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1392.000 41 1.48421985e+01 1.78435665e-02-6.16709050e-06 1.00443458e-09-6.10697983e-14 2 -1.78695010e+04-4.90082079e+01-1.04565044e+00 5.72423420e-02-4.43109142e-05 3 1.80944672e-08-3.02843329e-12-1.25698404e+04 3.55278306e+01 4 sc4h8oh-3 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1486.000 41 1.62323637e+01 1.77621189e-02-5.98899323e-06 9.22205005e-10-5.32394983e-14 2 -1.84722625e+04-5.82256275e+01 1.27641612e+00 4.58145342e-02-2.16701918e-05 3 2.18504122e-09 7.16497136e-13-1.27232830e+04 2.43183444e+01 4 tc4h9oh 5/15/10 thermc 4h 10o 1 0g 300.000 5000.000 1398.000 41 1.51649417e+01 2.13150096e-02-7.21750824e-06 1.11283831e-09-6.42498939e-14 2 -4.51552516e+04-5.75126755e+01-6.16810479e-01 5.93246469e-02-4.28640709e-05 3 1.65888214e-08-2.67494250e-12-3.97604667e+04 2.68860116e+01 4 tc4h8oh 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1398.000 41 1.47375554e+01 1.91807087e-02-6.49227990e-06 1.00076220e-09-5.77690579e-14 2 -1.86754850e+04-5.12562176e+01 1.51511632e-01 5.47779074e-02-4.03995549e-05 3 1.59609465e-08-2.61959493e-12-1.37385613e+04 2.65782496e+01 4 ic4h9oh 5/15/10 thermc 4h 10o 1 0g 300.000 5000.000 1394.000 41 1.47423131e+01 2.19843767e-02-7.51584192e-06 1.16633393e-09-6.76421638e-14 2 -4.16616600e+04-5.28466211e+01-8.37465362e-01 5.76520639e-02-3.90215462e-05 3 1.40131231e-08-2.11159111e-12-3.61265628e+04 3.11701525e+01 4 ic4h8oh-1 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1394.000 41 1.47534591e+01 1.94562034e-02-6.64962082e-06 1.03168447e-09-5.98230740e-14 2 -1.96083049e+04-5.12242842e+01 5.33515225e-01 5.34789056e-02-3.86598545e-05 3 1.51267168e-08-2.49240649e-12-1.46841926e+04 2.49704750e+01 4 ic4h8oh-2 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1394.000 41 1.43192822e+01 1.98485473e-02-6.79059389e-06 1.05430977e-09-6.11666443e-14 2 -1.83544329e+04-4.88096079e+01-4.98328165e-02 5.30373754e-02-3.64646068e-05 3 1.33332366e-08-2.04587041e-12-1.32787223e+04 2.85746947e+01 4 ic4h8oh-3 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1394.000 41 1.43192822e+01 1.98485473e-02-6.79059389e-06 1.05430977e-09-6.11666443e-14 2 -1.65929835e+04-4.77124766e+01-4.98328165e-02 5.30373754e-02-3.64646068e-05 3 1.33332366e-08-2.04587041e-12-1.15172729e+04 2.96718261e+01 4 c3h6oh-2 5/15/10 thermc 3h 7o 1 0g 300.000 5000.000 1530.000 31 1.08612250e+01 1.49944440e-02-4.99956622e-06 7.63352693e-10-4.37872385e-14 2 -1.17006131e+04-2.85286286e+01 1.38218609e+00 3.22641651e-02-1.39820294e-05 3 9.59442093e-10 5.73234299e-13-7.99050293e+03 2.39928393e+01 4 c3h6oh-1 5/15/10 thermc 3h 7o 1 0g 300.000 5000.000 1401.000 31 1.14914460e+01 1.48556953e-02-5.02888291e-06 7.75157618e-10-4.47423059e-14 2 -1.45014891e+04-3.35712772e+01 1.31781034e+00 3.85018240e-02-2.61358793e-05 3 9.39954865e-09-1.40537401e-12-1.09450432e+04 2.11274386e+01 4 ch3chchoh 2/ 3/ 9 c 3h 6o 1 0g 300.000 5000.000 1404.000 21 1.11222064e+01 1.27745410e-02-4.25315532e-06 6.48216484e-10-3.71190850e-14 2 -2.36690795e+04-3.41335182e+01-3.53977226e-02 4.34969453e-02-3.74479918e-05 3 1.70906074e-08-3.13775054e-12-2.02502608e+04 2.41528201e+01 4 ic3h7oh 5/15/10 thermc 3h 8o 1 0g 300.000 5000.000 1415.000 31 1.20292121e+01 1.56447567e-02-5.03394419e-06 7.49707610e-10-4.22464398e-14 2 -3.85170962e+04-3.89292528e+01-8.36116329e-02 4.55486449e-02-3.30007032e-05 3 1.24834721e-08-1.90033322e-12-3.45551308e+04 2.54128160e+01 4 ic3h6oh-1 11/19/ 9 thermc 3h 7o 1 0g 300.000 5000.000 1392.000 31 1.12222277e+01 1.36444398e-02-4.51406709e-06 7.10523275e-10-4.22690392e-14 2 -1.72431162e+04-3.18911926e+01 1.09670360e+00 3.80727565e-02-2.75022497e-05 3 1.07477493e-08-1.74895773e-12-1.37845514e+04 2.22475799e+01 4 ic3h6oh 5/15/10 thermc 3h 7o 1 0g 300.000 5000.000 1393.000 31 1.21110527e+01 1.33516289e-02-4.71470005e-06 7.86163280e-10-4.86392323e-14 2 -1.31232286e+04-3.70534560e+01 8.16696807e-02 4.34236599e-02-3.40694786e-05 3 1.40356623e-08-2.36274037e-12-9.13849541e+03 2.68605659e+01 4 ic3h5oh 11/23/ 9 c 3h 6o 1 0g 300.000 5000.000 1405.000 21 1.21621106e+01 1.20411664e-02-4.03021153e-06 6.16302910e-10-3.53701974e-14 2 -2.60460030e+04-4.12659070e+01-9.56994552e-01 5.22711668e-02-5.19795372e-05 3 2.63315795e-08-5.18631177e-12-2.24033513e+04 2.58662769e+01 4 c4h7oh2-2 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1402.000 31 1.48692662e+01 1.68753658e-02-5.67925236e-06 8.71818963e-10-5.01730329e-14 2 -3.13385238e+04-5.47027717e+01-7.32340824e-01 6.15686123e-02-5.61186359e-05 3 2.68938880e-08-5.12983004e-12-2.66881030e+04 2.62558548e+01 4 c4h7oh1-2 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1404.000 31 1.54923125e+01 1.63665424e-02-5.50846045e-06 8.45669968e-10-4.86716947e-14 2 -3.01194213e+04-5.76588163e+01-2.22860953e+00 6.91329827e-02-6.68957198e-05 3 3.31870528e-08-6.44723951e-12-2.50504143e+04 3.35656758e+01 4 c4h7oh1-3 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1398.000 31 1.50127424e+01 1.62207114e-02-5.35572556e-06 8.12677506e-10-4.64264881e-14 2 -2.67304337e+04-5.31769545e+01-1.81269400e+00 5.94830667e-02-4.83143692e-05 3 2.02853169e-08-3.42392871e-12-2.13476100e+04 3.56752880e+01 4 ic3h7cho 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1394.000 31 1.29448127e+01 1.86020757e-02-6.29697027e-06 9.70674597e-10-5.60317631e-14 2 -3.33889835e+04-4.25141593e+01 1.22518285e+00 4.48245997e-02-2.87283116e-05 3 9.75591849e-09-1.39154218e-12-2.91631756e+04 2.09037472e+01 4 ic3h6choh 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1400.000 31 1.43069417e+01 1.72823173e-02-5.80601171e-06 8.90343592e-10-5.12054721e-14 2 -2.99768303e+04-5.06124107e+01 4.83554229e-01 5.37593745e-02-4.38037194e-05 3 1.92101541e-08-3.44527357e-12-2.55598907e+04 2.22003696e+01 4 ic3h5ch2oh 11/23/9 thermc 4h 8o 1 0g 300.000 5000.000 1389.000 31 1.32471822e+01 1.83544422e-02-6.21537679e-06 9.58477216e-10-5.53476999e-14 2 -2.61082281e+04-4.30909505e+01 1.78074635e+00 4.26830834e-02-2.52896648e-05 3 7.50850814e-09-8.82420001e-13-2.18516594e+04 1.94104654e+01 4 c3h5oh1-1 11/23/ 9 thermc 3h 6o 1 0g 300.000 5000.000 1404.000 21 1.11222064e+01 1.27745410e-02-4.25315532e-06 6.48216484e-10-3.71190850e-14 2 -2.36690795e+04-3.41335182e+01-3.53977226e-02 4.34969453e-02-3.74479918e-05 3 1.70906074e-08-3.13775054e-12-2.02502608e+04 2.41528201e+01 4 c2h5oc2h5 12/17/ 9 thermc 4h 10o 1 0g 300.000 5000.000 1392.000 41 1.45377576e+01 2.21963733e-02-7.59802436e-06 1.18015179e-09-6.84882522e-14 2 -3.81589471e+04-5.16436045e+01-1.33276421e+00 5.83026596e-02-3.92679338e-05 3 1.40080516e-08-2.09895739e-12-3.24927921e+04 3.40306008e+01 4 ch3oc2h5 12/18/ 9 thermc 3h 8o 1 0g 300.000 5000.000 1386.000 31 1.09231750e+01 1.80866674e-02-6.18825380e-06 9.60841915e-10-5.57462954e-14 2 -3.21261301e+04-3.30811791e+01 5.76428759e-01 3.83964415e-02-2.02122811e-05 3 4.81484224e-09-3.60292839e-13-2.80907136e+04 2.39502553e+01 4 ch2oc2h5 12/18/ 9 thermc 3h 7o 1 0g 300.000 5000.000 1396.000 31 1.20601861e+01 1.46340803e-02-5.01160915e-06 7.78731223e-10-4.52074955e-14 2 -1.02771442e+04-3.80109816e+01-4.16625666e-01 4.45082256e-02-3.27184839e-05 3 1.26234312e-08-2.00837172e-12-6.00768809e+03 2.87542884e+01 4 ! ! Added by mani for modified mechanism c4h6oh1-32 12/22/8 thermc 4h 7o 1 0g 300.000 5000.000 1395.000 21 1.32533733e+01 1.61728245e-02-5.45336602e-06 8.38721928e-10-4.83472996e-14 2 -7.09773596e+03-4.27798406e+01 5.46057117e-01 4.58530232e-02-3.19247307e-05 3 1.15775262e-08-1.72120410e-12-2.69575051e+03 2.54486970e+01 4 hcchoh 8/13/ 7 thermc 2h 3o 1 0g 300.000 5000.000 1411.000 1 8.08589999e+00 5.40439348e-03-1.55258652e-06 2.13486072e-10-1.14112108e-14 2 1.16372053e+04-1.65147643e+01 9.99819422e-01 2.70273221e-02-2.66916711e-05 3 1.32529706e-08-2.53537494e-12 1.35529195e+04 1.96798606e+01 ch2coh 8/13/ 7 thermc 2h 3o 1 0g 300.000 5000.000 1408.000 1 7.67940243e+00 5.63609321e-03-1.57911872e-06 2.14057857e-10-1.13615509e-14 2 1.06531188e+04-1.40057705e+01 1.85296033e+00 2.20741770e-02-1.93718642e-05 3 8.89896145e-09-1.61108469e-12 1.23550086e+04 1.62184602e+01 4 ! ! !Added for mani low T mech (apr 28) c4h8oh-1o2h 5/11 thermc 4h 10o 3 0g 300.000 5000.000 1397.000 61 2.24305700e+01 2.00916042e-02-6.95451526e-06 1.08866855e-09-6.35358508e-14 2 -5.93848544e+04-8.79227292e+01 1.75612174e+00 6.72860039e-02-4.71674428e-05 3 1.62375319e-08-2.18438490e-12-5.21773930e+04 2.33648921e+01 4 c4h8oh-1o2 5/ 5/11 thermc 4h 9o 3 0g 300.000 5000.000 1396.000 61 1.89120862e+01 2.02526112e-02-6.94225752e-06 1.07921529e-09-6.26651805e-14 2 -4.07970291e+04-6.69028617e+01 3.61860607e+00 5.68332133e-02-4.12486845e-05 3 1.60924891e-08-2.63256932e-12-3.55106319e+04 1.50300425e+01 4 c4h8oh-2o2h 5/11 thermc 4h 10o 3 0g 300.000 5000.000 1398.000 61 1.99114530e+01 2.18266369e-02-7.45937293e-06 1.15739011e-09-6.71188419e-14 2 -5.48679537e+04-7.28646300e+01 1.88751677e+00 6.53048412e-02-4.82017503e-05 3 1.87879791e-08-3.02614387e-12-4.87269354e+04 2.34786452e+01 4 c4h8oh-2o2 5/ 5/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 1.79101133e+01 2.11247449e-02-7.24787505e-06 1.12742547e-09-6.54930094e-14 2 -3.71878276e+04-6.12769774e+01 2.89779336e+00 5.60720331e-02-3.90996379e-05 3 1.47174953e-08-2.34862827e-12-3.18812119e+04 1.95265598e+01 4 c4h8oh-3o2h 5/11 thermc 4h 10o 3 0g 300.000 5000.000 1398.000 61 1.99114530e+01 2.18266369e-02-7.45937293e-06 1.15739011e-09-6.71188419e-14 2 -5.48679537e+04-7.28646300e+01 1.88751677e+00 6.53048412e-02-4.82017503e-05 3 1.87879791e-08-3.02614387e-12-4.87269354e+04 2.34786452e+01 4 c4h8oh-3o2 5/ 5/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 1.79101133e+01 2.11247449e-02-7.24787505e-06 1.12742547e-09-6.54930094e-14 2 -3.71878276e+04-6.12769774e+01 2.89779336e+00 5.60720331e-02-3.90996379e-05 3 1.47174953e-08-2.34862827e-12-3.18812119e+04 1.95265598e+01 4 c4h8oh-4o2h 5/11 thermc 4h 10o 3 0g 300.000 5000.000 1393.000 61 1.95531252e+01 2.22361839e-02-7.62401484e-06 1.18553083e-09-6.88564048e-14 2 -5.30670798e+04-6.95572597e+01 2.75594335e+00 6.02184792e-02-4.03721615e-05 3 1.40520212e-08-2.01953800e-12-4.70787552e+04 2.11482111e+01 4 c4h8oh-4o2 5/5/11 thermc 4h 9o 3 0g 300.000 5000.000 1388.000 61 1.75586380e+01 2.15198644e-02-7.40582990e-06 1.15435922e-09-6.71541516e-14 2 -3.53892514e+04-5.80067387e+01 3.77316700e+00 5.09446817e-02-3.11984541e-05 3 9.92963878e-09-1.32919596e-12-3.02338172e+04 1.71660161e+01 4 c4h8oh-1oh 5/5/11 thermc 4h 10o 2 0g 300.000 5000.000 1399.000 51 1.75814213e+01 2.15909691e-02-7.35805955e-06 1.13950448e-09-6.59940221e-14 2 -6.47306818e+04-6.42026932e+01 8.80810413e-01 6.02267253e-02-4.14401804e-05 3 1.47959727e-08-2.16448460e-12-5.88975226e+04 2.56150257e+01 4 c4h8oh-1o 5/ 5/11 thermc 4h 9o 2 0g 300.000 5000.000 1394.000 51 1.79799050e+01 1.91216206e-02-6.59971082e-06 1.03095808e-09-6.00742839e-14 2 -3.86716567e+04-6.66621557e+01 1.01830660e+00 5.76337397e-02-3.95938441e-05 3 1.37264966e-08-1.91369187e-12-3.26876094e+04 2.47968398e+01 4 c4h8oh-2oh 5/5/11 thermc 4h 10o 2 0g 300.000 5000.000 1398.000 51 1.63681318e+01 2.25212634e-02-7.65436958e-06 1.18300191e-09-6.84092043e-14 2 -6.14026057e+04-5.64514485e+01 2.25866702e-01 6.20831962e-02-4.58398380e-05 3 1.83839554e-08-3.08781379e-12-5.59191321e+04 2.96885436e+01 4 c4h8oh-2o 5/ 5/11 thermc 4h 9o 2 0g 300.000 5000.000 1394.000 51 1.67892013e+01 2.00394734e-02-6.89347746e-06 1.07426032e-09-6.24868724e-14 2 -3.53579623e+04-5.90524522e+01 3.22902420e-01 5.96523141e-02-4.41961108e-05 3 1.74296551e-08-2.86189445e-12-2.97027864e+04 2.90605909e+01 4 c4h8oh-3oh 5/5/11 thermc 4h 10o 2 0g 300.000 5000.000 1398.000 51 1.63681318e+01 2.25212634e-02-7.65436958e-06 1.18300191e-09-6.84092043e-14 2 -6.14026057e+04-5.64514485e+01 2.25866702e-01 6.20831962e-02-4.58398380e-05 3 1.83839554e-08-3.08781379e-12-5.59191321e+04 2.96885436e+01 4 c4h8oh-3o 5/ 5/11 thermc 4h 9o 2 0g 300.000 5000.000 1394.000 51 1.67892013e+01 2.00394734e-02-6.89347746e-06 1.07426032e-09-6.24868724e-14 2 -3.53579623e+04-5.90524522e+01 3.22902420e-01 5.96523141e-02-4.41961108e-05 3 1.74296551e-08-2.86189445e-12-2.97027864e+04 2.90605909e+01 4 c4h8oh-4oh 5/5/11 thermc 4h 10o 2 0g 300.000 5000.000 1393.000 51 1.62002105e+01 2.22792128e-02-7.49311490e-06 1.15030131e-09-6.62180148e-14 2 -5.91991455e+04-5.52415700e+01 4.36199117e-01 5.88838873e-02-4.01748133e-05 3 1.45423227e-08-2.19303383e-12-5.36832287e+04 2.95314034e+01 4 c4h8oh-4o 5/ 5/11 thermc 4h 9o 2 0g 300.000 5000.000 1389.000 51 1.64247874e+01 2.01733775e-02-6.90353462e-06 1.07228062e-09-6.22346445e-14 2 -3.30871457e+04-5.60701064e+01 6.01619917e-01 5.63612108e-02-3.86672229e-05 3 1.38719334e-08-2.06647090e-12-2.74825034e+04 2.92394417e+01 4 c4h7oh-1ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1399.000 61 1.99606162e+01 1.93791633e-02-6.64705238e-06 1.03395417e-09-6.00686943e-14 2 -3.47220187e+04-7.01918988e+01 3.71800924e+00 5.66057456e-02-3.89365694e-05 3 1.36468141e-08-1.93330667e-12-2.90287204e+04 1.72622482e+01 4 c4h7oh-1ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1399.000 61 1.99606162e+01 1.93791633e-02-6.64705238e-06 1.03395417e-09-6.00686943e-14 2 -3.47220187e+04-7.01918988e+01 3.71800924e+00 5.66057456e-02-3.89365694e-05 3 1.36468141e-08-1.93330667e-12-2.90287204e+04 1.72622482e+01 4 c4h7oh-1ooh-4 11 thermc 4h 9o 3 0g 300.000 5000.000 1400.000 61 2.04580281e+01 1.89141031e-02-6.47616363e-06 1.00610640e-09-5.83971100e-14 2 -3.34207225e+04-7.32367175e+01 3.11211787e+00 6.25689244e-02-4.94225250e-05 3 2.05292318e-08-3.48600782e-12-2.76996749e+04 1.88264124e+01 4 c4h7oh-2ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1386.000 61 1.98248103e+01 1.86203271e-02-6.21190922e-06 9.49491968e-10-5.45275945e-14 2 -3.13510418e+04-6.92022341e+01 2.87544649e+00 5.64465881e-02-3.71201866e-05 3 1.17976445e-08-1.40574901e-12-2.53859976e+04 2.22914488e+01 4 c4h7oh-2ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1386.000 61 1.98248103e+01 1.86203271e-02-6.21190922e-06 9.49491968e-10-5.45275945e-14 2 -3.13510418e+04-6.92022341e+01 2.87544649e+00 5.64465881e-02-3.71201866e-05 3 1.17976445e-08-1.40574901e-12-2.53859976e+04 2.22914488e+01 4 c4h7oh-2ooh-4 5/11 thermc 4h 9o 3 0g 300.000 5000.000 1398.000 61 1.94831158e+01 1.97022449e-02-6.73955581e-06 1.04636467e-09-6.07074690e-14 2 -2.97995491e+04-6.77107460e+01 2.66799201e+00 6.07030703e-02-4.56568938e-05 3 1.81179746e-08-2.96348679e-12-2.41159970e+04 2.20126699e+01 4 c4h7oh-3ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1386.000 61 1.98248103e+01 1.86203271e-02-6.21190922e-06 9.49491968e-10-5.45275945e-14 2 -3.13510418e+04-6.92022341e+01 2.87544649e+00 5.64465881e-02-3.71201866e-05 3 1.17976445e-08-1.40574901e-12-2.53859976e+04 2.22914488e+01 4 c4h7oh-3ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1386.000 61 1.98248103e+01 1.86203271e-02-6.21190922e-06 9.49491968e-10-5.45275945e-14 2 -3.13510418e+04-6.92022341e+01 2.87544649e+00 5.64465881e-02-3.71201866e-05 3 1.17976445e-08-1.40574901e-12-2.53859976e+04 2.22914488e+01 4 c4h7oh-3ooh-4 5/11 thermc 4h 9o 3 0g 300.000 5000.000 1398.000 61 1.94831158e+01 1.97022449e-02-6.73955581e-06 1.04636467e-09-6.07074690e-14 2 -2.97995491e+04-6.77107460e+01 2.66799201e+00 6.07030703e-02-4.56568938e-05 3 1.81179746e-08-2.96348679e-12-2.41159970e+04 2.20126699e+01 4 c4h7oh-4ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1375.000 61 1.96562682e+01 1.89501927e-02-6.36650478e-06 9.77839218e-10-5.63478109e-14 2 -2.96711333e+04-6.71013374e+01 3.27400929e+00 5.30234114e-02-3.10153532e-05 3 7.83177325e-09-5.27518469e-13-2.36578741e+04 2.22123402e+01 4 c4h7oh-4ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1375.000 61 1.96562682e+01 1.89501927e-02-6.36650478e-06 9.77839218e-10-5.63478109e-14 2 -2.96711333e+04-6.71013374e+01 3.27400929e+00 5.30234114e-02-3.10153532e-05 3 7.83177325e-09-5.27518469e-13-2.36578741e+04 2.22123402e+01 4 c4h7oh-4ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1375.000 61 1.96562682e+01 1.89501927e-02-6.36650478e-06 9.77839218e-10-5.63478109e-14 2 -2.96711333e+04-6.71013374e+01 3.27400929e+00 5.30234114e-02-3.10153532e-05 3 7.83177325e-09-5.27518469e-13-2.36578741e+04 2.22123402e+01 4 c4h7oh-1ooh-2ooh thermc 4h 10o 5 0g 300.000 5000.000 1404.000 81 2.66668461e+01 2.04537001e-02-7.01317080e-06 1.09069778e-09-6.33585011e-14 2 -7.28516261e+04-1.03291432e+02 4.21034692e+00 7.88719199e-02-6.61728887e-05 3 2.85786897e-08-4.95858618e-12-6.56848815e+04 1.51386031e+01 4 c4h7oh-1ooh-2o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1400.000 81 2.47054669e+01 1.96541583e-02-6.75423230e-06 1.05192223e-09-6.11636036e-14 2 -5.51718478e+04-9.18952610e+01 5.24253885e+00 6.95694331e-02-5.69274095e-05 3 2.43580632e-08-4.23410458e-12-4.88435872e+04 1.10772891e+01 4 c4h7oh-2ooh-1o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1400.000 81 2.47054669e+01 1.96541583e-02-6.75423230e-06 1.05192223e-09-6.11636036e-14 2 -5.51718478e+04-9.18952610e+01 5.24253885e+00 6.95694331e-02-5.69274095e-05 3 2.43580632e-08-4.23410458e-12-4.88435872e+04 1.10772891e+01 4 c4h7oh-1ooh-3ooh thermc 4h 10o 5 0g 300.000 5000.000 1404.000 81 2.66668461e+01 2.04537001e-02-7.01317080e-06 1.09069778e-09-6.33585011e-14 2 -7.28516261e+04-1.03291432e+02 4.21034692e+00 7.88719199e-02-6.61728887e-05 3 2.85786897e-08-4.95858618e-12-6.56848815e+04 1.51386031e+01 4 c4h7oh-1ooh-3o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1400.000 81 2.47054669e+01 1.96541583e-02-6.75423230e-06 1.05192223e-09-6.11636036e-14 2 -5.51718478e+04-9.18952610e+01 5.24253885e+00 6.95694331e-02-5.69274095e-05 3 2.43580632e-08-4.23410458e-12-4.88435872e+04 1.10772891e+01 4 c4h7oh-3ooh-1o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1400.000 81 2.47054669e+01 1.96541583e-02-6.75423230e-06 1.05192223e-09-6.11636036e-14 2 -5.51718478e+04-9.18952610e+01 5.24253885e+00 6.95694331e-02-5.69274095e-05 3 2.43580632e-08-4.23410458e-12-4.88435872e+04 1.10772891e+01 4 c4h7oh-2ooh-3ooh thermc 4h 10o 5 0g 300.000 5000.000 1396.000 81 2.48850520e+01 2.21836650e-02-7.65866388e-06 1.19659650e-09-6.97347676e-14 2 -6.92125489e+04-9.37752008e+01 3.08310380e+00 7.51547041e-02-5.74937402e-05 3 2.27668239e-08-3.67937766e-12-6.18522925e+04 2.25791290e+01 4 c4h7oh-2ooh-3o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.36719411e+01 2.05751255e-02-7.08127339e-06 1.10392970e-09-6.42301320e-14 2 -5.15463449e+04-8.60806755e+01 4.75209184e+00 6.78608013e-02-5.34336966e-05 3 2.21852722e-08-3.78003417e-12-4.52511232e+04 1.44907043e+01 4 c4h7oh-3ooh-2o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.36719411e+01 2.05751255e-02-7.08127339e-06 1.10392970e-09-6.42301320e-14 2 -5.15463449e+04-8.60806755e+01 4.75209184e+00 6.78608013e-02-5.34336966e-05 3 2.21852722e-08-3.78003417e-12-4.52511232e+04 1.44907043e+01 4 c4h7oh-2ooh-4ooh thermc 4h 10o 5 0g 300.000 5000.000 1392.000 81 2.44728134e+01 2.26213500e-02-7.82917120e-06 1.22525750e-09-7.14867718e-14 2 -6.73920512e+04-9.01604594e+01 3.84746263e+00 7.03825138e-02-5.01335547e-05 3 1.83259474e-08-2.73789991e-12-6.01834537e+04 2.07663458e+01 4 c4h7oh-2ooh-4o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33188012e+01 2.09756942e-02-7.24198033e-06 1.13138223e-09-6.59250371e-14 2 -4.97483440e+04-8.28042082e+01 5.60899607e+00 6.28058582e-02-4.56335970e-05 3 1.74592441e-08-2.77429066e-12-4.36006628e+04 1.22177771e+01 4 c4h7oh-4ooh-2o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33188012e+01 2.09756942e-02-7.24198033e-06 1.13138223e-09-6.59250371e-14 2 -4.97483440e+04-8.28042082e+01 5.60899607e+00 6.28058582e-02-4.56335970e-05 3 1.74592441e-08-2.77429066e-12-4.36006628e+04 1.22177771e+01 4 c4h7oh-3ooh-4ooh thermc 4h 10o 5 0g 300.000 5000.000 1392.000 81 2.44728134e+01 2.26213500e-02-7.82917120e-06 1.22525750e-09-7.14867718e-14 2 -6.73920512e+04-9.01604594e+01 3.84746263e+00 7.03825138e-02-5.01335547e-05 3 1.83259474e-08-2.73789991e-12-6.01834537e+04 2.07663458e+01 4 c4h7oh-3ooh-4o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33188012e+01 2.09756942e-02-7.24198033e-06 1.13138223e-09-6.59250371e-14 2 -4.97483440e+04-8.28042082e+01 5.60899607e+00 6.28058582e-02-4.56335970e-05 3 1.74592441e-08-2.77429066e-12-4.36006628e+04 1.22177771e+01 4 c4h7oh-4ooh-3o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33188012e+01 2.09756942e-02-7.24198033e-06 1.13138223e-09-6.59250371e-14 2 -4.97483440e+04-8.28042082e+01 5.60899607e+00 6.28058582e-02-4.56335970e-05 3 1.74592441e-08-2.77429066e-12-4.36006628e+04 1.22177771e+01 4 c4h7oh-1ooh-4ooh thermc 4h 10o 5 0g 300.000 5000.000 1401.000 81 2.63107006e+01 2.08559141e-02-7.17402317e-06 1.11811195e-09-6.50481747e-14 2 -7.10447596e+04-9.99809561e+01 5.18645774e+00 7.33889711e-02-5.77971590e-05 3 2.35140930e-08-3.88007923e-12-6.40553900e+04 1.22913571e+01 4 c4h7oh-1ooh-4o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1396.000 81 2.43472527e+01 2.00694370e-02-6.92223210e-06 1.08073775e-09-6.29467600e-14 2 -5.33775968e+04-8.86046209e+01 5.95730707e+00 6.50834908e-02-4.99389994e-05 3 2.01268542e-08-3.33681796e-12-4.71697947e+04 9.47646758e+00 4 c4h7oh-4ooh-1o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1396.000 81 2.43472527e+01 2.00694370e-02-6.92223210e-06 1.08073775e-09-6.29467600e-14 2 -5.33775968e+04-8.86046209e+01 5.95730707e+00 6.50834908e-02-4.99389994e-05 3 2.01268542e-08-3.33681796e-12-4.71697947e+04 9.47646758e+00 4 c4ohket1-2 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1400.000 61 2.26869677e+01 1.72992036e-02-5.98355488e-06 9.36157440e-10-5.46124891e-14 2 -7.84138046e+04-9.04022182e+01 8.52652906e-02 7.76940260e-02-6.89792026e-05 3 3.10732076e-08-5.56678759e-12-7.13527909e+04 2.82411775e+01 4 c4ohket1-3 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1394.000 61 2.15061207e+01 1.82242002e-02-6.28433969e-06 9.81117783e-10-5.71471509e-14 2 -7.90045198e+04-8.28778210e+01 2.52579036e+00 6.70741287e-02-5.57888310e-05 3 2.42518437e-08-4.28225979e-12-7.28293364e+04 1.75173625e+01 4 c4ohket1-4 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1390.000 61 2.11521418e+01 1.86270177e-02-6.44609279e-06 1.00875650e-09-5.88536630e-14 2 -7.72053848e+04-7.95948028e+01 3.40308728e+00 6.19467565e-02-4.78938062e-05 3 1.94726653e-08-3.26570147e-12-7.11824756e+04 1.51460697e+01 4 c4ohket2-1 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1394.000 61 2.12924728e+01 1.84854934e-02-6.39052328e-06 9.99235156e-10-5.82604271e-14 2 -7.17983126e+04-7.67044732e+01 4.69717036e+00 5.90263474e-02-4.52484886e-05 3 1.83435414e-08-3.07502870e-12-6.61653195e+04 1.18723376e+01 4 c4ohket2-3 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1396.000 61 2.19367270e+01 1.80406285e-02-6.26171080e-06 9.81855896e-10-5.73639516e-14 2 -6.64546784e+04-8.13588272e+01-4.45736457e+00 9.47202096e-02-9.37478682e-05 3 4.64802131e-08-8.99314409e-12-5.87131282e+04 5.51970961e+01 4 c4ohket2-4 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1390.000 61 2.03288579e+01 1.95151635e-02-6.79334645e-06 1.06714494e-09-6.24203869e-14 2 -6.52322137e+04-7.01674285e+01-9.51453003e-01 7.81774321e-02-7.16124561e-05 3 3.43460761e-08-6.59815759e-12-5.85718006e+04 4.12253693e+01 4 c4ohket3-1 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1394.000 61 2.12924728e+01 1.84854934e-02-6.39052328e-06 9.99235156e-10-5.82604271e-14 2 -7.17379201e+04-7.67044732e+01 4.69717036e+00 5.90263474e-02-4.52484886e-05 3 1.83435414e-08-3.07502870e-12-6.61049270e+04 1.18723376e+01 4 c4ohket3-2 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1397.000 61 2.16548128e+01 1.80943932e-02-6.23992007e-06 9.74312467e-10-5.67589768e-14 2 -6.75867645e+04-7.95917929e+01 1.13948571e+00 7.06039200e-02-5.86385535e-05 3 2.50476013e-08-4.31329319e-12-6.09388107e+04 2.89321700e+01 4 c4ohket3-4 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1395.000 61 2.13468247e+01 1.82026232e-02-6.24295542e-06 9.71182648e-10-5.64298828e-14 2 -6.52014967e+04-7.57363864e+01 1.51406971e+00 7.07101744e-02-6.09594567e-05 3 2.73129635e-08-4.92725229e-12-5.89050272e+04 2.86321980e+01 4 c4ohket4-1 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1396.000 61 2.15777583e+01 1.81482247e-02-6.25278351e-06 9.75475599e-10-5.67846025e-14 2 -6.79802944e+04-7.75384747e+01 5.16734915e+00 5.88905025e-02-4.59621107e-05 3 1.89633950e-08-3.22082690e-12-6.24845533e+04 9.80401364e+00 4 c4ohket4-2 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1391.000 61 2.09630251e+01 1.82984346e-02-6.22814300e-06 9.64119827e-10-5.58335663e-14 2 -6.44843461e+04-7.40092136e+01 4.05634023e+00 5.96799750e-02-4.56587910e-05 3 1.83348510e-08-3.02425615e-12-5.87928450e+04 1.61369991e+01 4 c4ohket4-3 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1398.000 61 2.22069899e+01 1.72661234e-02-5.87916039e-06 9.10526177e-10-5.27529796e-14 2 -6.39138909e+04-8.18821573e+01 1.47177565e+00 7.08974530e-02-5.96400431e-05 3 2.55726558e-08-4.38670026e-12-5.72937135e+04 2.75349513e+01 4 c4h7oho1-2 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1405.000 31 1.76143580e+01 1.76039029e-02-6.04916973e-06 9.42340859e-10-5.48099952e-14 2 -4.49548059e+04-6.85230344e+01-2.01746862e+00 6.56145785e-02-5.08422542e-05 3 1.98532251e-08-3.09580926e-12-3.84409322e+04 3.60000856e+01 4 c4h7oho1-3 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1403.000 21 1.62428079e+01 1.91411143e-02-6.56649059e-06 1.02163634e-09-5.93649021e-14 2 -4.54827956e+04-6.23942761e+01-3.34050908e+00 6.74933086e-02-5.25480881e-05 3 2.09908268e-08-3.38682231e-12-3.89927030e+04 4.17711603e+01 4 c4h7oho1-4 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1401.000 21 1.53974801e+01 1.99867721e-02-6.88756825e-06 1.07490272e-09-6.25966766e-14 2 -5.33539148e+04-5.82489337e+01-4.33894975e+00 6.58008223e-02-4.69211010e-05 3 1.67037853e-08-2.35942205e-12-4.65427473e+04 4.77300998e+01 4 c4h7oho2-3 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1404.000 31 1.62165615e+01 1.85631155e-02-6.32654108e-06 9.79819238e-10-5.67491402e-14 2 -4.14638917e+04-5.95073639e+01-2.50126156e+00 6.76404496e-02-5.65916402e-05 3 2.46417467e-08-4.32619830e-12-3.55114023e+04 3.90979401e+01 4 c4h7oho2-4 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1402.000 21 1.48298971e+01 2.02136677e-02-6.90692214e-06 1.07159128e-09-6.21414078e-14 2 -3.99619574e+04-5.26628909e+01-3.60209617e+00 6.56886010e-02-5.03737345e-05 3 2.01541117e-08-3.29035536e-12-3.38193867e+04 4.54414633e+01 4 c4h7oho3-4 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1400.000 31 1.56002674e+01 1.91959466e-02-6.56866318e-06 1.02006505e-09-5.91908383e-14 2 -3.91361624e+04-5.51995967e+01-2.16844060e+00 6.41213838e-02-5.09792605e-05 3 2.12995240e-08-3.63300478e-12-3.32982333e+04 3.90310855e+01 4 hoch2cho 5/ 6/11 thermc 2h 4o 2 0g 300.000 5000.000 1389.000 21 8.56649271e+00 1.06728571e-02-3.70801716e-06 5.81669586e-10-3.39890073e-14 2 -4.05605680e+04-1.69685788e+01-8.50564237e-01 3.52163092e-02-2.95844998e-05 3 1.34558167e-08-2.51907998e-12-3.74521306e+04 3.28599957e+01 4 hoch2co 5/ 6/11 thermc 2h 3o 2 0g 300.000 5000.000 1389.000 21 7.96736954e+00 8.63029565e-03-3.00259077e-06 4.71461522e-10-2.75677959e-14 2 -2.15262697e+04-1.20025104e+01 4.99909510e-02 2.93805799e-02-2.49753042e-05 3 1.14315369e-08-2.14545300e-12-1.89274395e+04 2.98448638e+01 4 hoc2h4cho 5/ 6/11 thermc 3h 6o 2 0g 300.000 5000.000 1377.000 31 1.22894577e+01 1.39823973e-02-4.69687007e-06 7.21074719e-10-4.15305994e-14 2 -4.61357885e+04-3.50722245e+01 2.71184298e+00 3.42800624e-02-2.06440401e-05 3 6.25584618e-09-7.60656252e-13-4.25744744e+04 1.71499324e+01 4 hoc2h4co 5/ 6/11 thermc 3h 5o 2 0g 300.000 5000.000 1376.000 31 1.17921434e+01 1.19744338e-02-4.02817956e-06 6.19033626e-10-3.56788026e-14 2 -2.71408278e+04-3.07085596e+01 3.49758746e+00 2.94656744e-02-1.76503178e-05 3 5.27836436e-09-6.27190499e-13-2.40486307e+04 1.45474616e+01 4 ic4h8oh-3o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1395.000 61 1.97860874e+01 2.19856495e-02-7.52669174e-06 1.16926365e-09-6.78675659e-14 2 -5.42978076e+04-7.22783634e+01 1.95132043e+00 6.35107389e-02-4.46372252e-05 3 1.63520664e-08-2.46860073e-12-4.80791670e+04 2.35724092e+01 4 ic4h8oh-3o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1390.000 61 1.77642214e+01 2.13135480e-02-7.32798236e-06 1.14153937e-09-6.63815149e-14 2 -3.66072398e+04-6.05685186e+01 3.06971149e+00 5.38412681e-02-3.49291037e-05 3 1.19288878e-08-1.71696345e-12-3.12509616e+04 1.91105564e+01 4 ic4h7oh-3ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1395.000 61 1.93573037e+01 1.98619698e-02-6.80718278e-06 1.05829195e-09-6.14595240e-14 2 -2.92292189e+04-6.71219792e+01 2.72973940e+00 5.89186668e-02-4.21077104e-05 3 1.56920275e-08-2.40821242e-12-2.34679296e+04 2.21158563e+01 4 ic4h7oh-3ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1381.000 61 1.78145974e+01 2.11815394e-02-7.26396533e-06 1.12972157e-09-6.56226698e-14 2 -3.10286914e+04-5.74593051e+01 6.04383781e+00 4.14592880e-02-1.69781922e-05 3 9.90039781e-10 6.66164150e-13-2.61894760e+04 8.36684745e+00 4 ic4h7oh-3ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1395.000 61 1.97713069e+01 1.94917585e-02-6.67486028e-06 1.03711568e-09-6.02040996e-14 2 -3.22394367e+04-7.05197057e+01 3.30477320e+00 5.93334036e-02-4.42422549e-05 3 1.74454846e-08-2.84588078e-12-2.66316410e+04 1.74725356e+01 4 ic4h8oh-2o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1400.000 61 2.01179070e+01 2.14861773e-02-7.30501128e-06 1.12941822e-09-6.53322209e-14 2 -5.72057343e+04-7.66205638e+01 1.57130336e+00 6.87842413e-02-5.46290472e-05 3 2.30402324e-08-3.98012853e-12-5.11390769e+04 2.16141971e+01 4 ic4h8oh-2o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1396.000 61 1.80914586e+01 2.08235331e-02-7.11061536e-06 1.10246305e-09-6.38944145e-14 2 -3.95154008e+04-6.48903497e+01 2.62971785e+00 5.93553578e-02-4.52638891e-05 3 1.88258242e-08-3.27413648e-12-3.43010438e+04 1.74358250e+01 4 ic4h7oh-2ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1401.000 61 1.96900587e+01 1.93607754e-02-6.58471014e-06 1.01830281e-09-5.89150179e-14 2 -3.21374090e+04-7.07747273e+01 2.34870719e+00 6.41960514e-02-5.21037884e-05 3 2.23816560e-08-3.91983736e-12-2.65276747e+04 2.08569614e+01 4 ic4h7oh-2ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1400.000 61 2.01034795e+01 1.89913942e-02-6.45273505e-06 9.97186128e-10-5.76632493e-14 2 -3.51473733e+04-7.37665098e+01 2.92296502e+00 6.46148097e-02-5.42453565e-05 3 2.41400123e-08-4.35867264e-12-2.96912806e+04 1.66197511e+01 4 ic4h8oh-1o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1403.000 61 2.18381421e+01 2.02118750e-02-6.90934861e-06 1.07243745e-09-6.22143211e-14 2 -6.00378267e+04-8.60228216e+01 1.44832029e+00 7.08463828e-02-5.53935193e-05 3 2.22858965e-08-3.62346186e-12-5.33097938e+04 2.23288428e+01 4 ic4h8oh-1o2 6/2/95 thermc 4h 9o 3 0g 300.000 5000.000 1396.000 51 2.02203774e+01 1.93384876e-02-6.67392863e-06 1.04249745e-09-6.07448546e-14 2 -4.26369155e+04-7.69314705e+01 2.08335560e+00 6.18870472e-02-4.48341301e-05 3 1.66255965e-08-2.50627022e-12-3.63742879e+04 2.03816005e+01 4 ic4h7oh-1ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1393.000 61 1.90600678e+01 2.01610313e-02-6.91892052e-06 1.07648841e-09-6.25452335e-14 2 -3.64434403e+04-6.65543677e+01 5.31448821e+00 4.96201951e-02-3.03935376e-05 3 9.34182718e-09-1.14645709e-12-3.13702723e+04 8.26500080e+00 4 ic4h7oh-1ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1402.000 61 2.06576223e+01 1.87145070e-02-6.40101580e-06 9.93748981e-10-5.76530917e-14 2 -3.46314372e+04-7.57515094e+01 2.61741190e+00 6.46114529e-02-5.19300376e-05 3 2.17905854e-08-3.71408127e-12-2.87505213e+04 1.97880585e+01 4 ic4h7oh-12ooh 11 thermc 4h 10o 5 0g 300.000 5000.000 1406.000 81 2.68638423e+01 2.01346398e-02-6.86902619e-06 1.06460647e-09-6.16926462e-14 2 -7.51869185e+04-1.06996376e+02 3.94272619e+00 8.21565270e-02-7.23343197e-05 3 3.26843600e-08-5.88381817e-12-6.81049259e+04 1.30447924e+01 4 ic4h7oh-1ooh-2o2 thermc 4h 9o 5 0g 300.000 5000.000 1402.000 81 2.48936204e+01 1.93504930e-02-6.61696412e-06 1.02705362e-09-5.95745644e-14 2 -5.75043430e+04-9.55520462e+01 4.97301887e+00 7.28627322e-02-6.31086436e-05 3 2.84825061e-08-5.16472360e-12-5.12633112e+04 8.99243296e+00 4 ic4h7oh-2ooh-1o2 thermc 4h 9o 5 0g 300.000 5000.000 1402.000 81 2.48936204e+01 1.93504930e-02-6.61696412e-06 1.02705362e-09-5.95745644e-14 2 -5.75043430e+04-9.55520462e+01 4.97301887e+00 7.28627322e-02-6.31086436e-05 3 2.84825061e-08-5.16472360e-12-5.12633112e+04 8.99243296e+00 4 ic4h7oh-13ooh 11 thermc 4h 10o 5 0g 300.000 5000.000 1402.000 81 2.65035890e+01 2.06829449e-02-7.11267261e-06 1.10838715e-09-6.44767843e-14 2 -7.22692903e+04-1.02497163e+02 4.35527783e+00 7.67493606e-02-6.21711541e-05 3 2.59124527e-08-4.35796021e-12-6.50501302e+04 1.48505833e+01 4 ic4h7oh-1ooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.45574931e+01 1.98693613e-02-6.84882272e-06 1.06885096e-09-6.22382457e-14 2 -5.46003666e+04-9.11997640e+01 5.23724541e+00 6.80750524e-02-5.38305380e-05 3 2.22420494e-08-3.75370839e-12-4.81850033e+04 1.14934904e+01 4 ic4h7oh-3ooh-1o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.45574931e+01 1.98693613e-02-6.84882272e-06 1.06885096e-09-6.22382457e-14 2 -5.46003666e+04-9.11997640e+01 5.23724541e+00 6.80750524e-02-5.38305380e-05 3 2.22420494e-08-3.75370839e-12-4.81850033e+04 1.14934904e+01 4 ic4h7oh-23ooh 11 thermc 4h 10o 5 0g 300.000 5000.000 1396.000 81 2.47578473e+01 2.22409708e-02-7.66661286e-06 1.19655882e-09-6.96793374e-14 2 -6.97497709e+04-9.36535232e+01 3.67646186e+00 7.35522783e-02-5.61638995e-05 3 2.23402696e-08-3.63988588e-12-6.26281894e+04 1.88457229e+01 4 ic4h7oh-2ooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.34973931e+01 2.06869788e-02-7.11119894e-06 1.10765061e-09-6.44068014e-14 2 -5.20763930e+04-8.57112443e+01 5.34700034e+00 6.60813121e-02-5.18057243e-05 3 2.15870843e-08-3.70706535e-12-4.60219231e+04 1.07894551e+01 4 ic4h7oh-3ooh-2o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.34973931e+01 2.06869788e-02-7.11119894e-06 1.10765061e-09-6.44068014e-14 2 -5.20763930e+04-8.57112443e+01 5.34700034e+00 6.60813121e-02-5.18057243e-05 3 2.15870843e-08-3.70706535e-12-4.60219231e+04 1.07894551e+01 4 ic4h7oh-33ooh 11 thermc 4h 10o 5 0g 300.000 5000.000 1392.000 81 2.46002850e+01 2.25169238e-02-7.79429853e-06 1.21995770e-09-7.11847447e-14 2 -6.68236195e+04-9.08199808e+01 4.18281113e+00 6.90886222e-02-4.80918298e-05 3 1.69921575e-08-2.43323032e-12-5.96274840e+04 1.92222652e+01 4 ic4h7oh-3ooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1391.000 81 2.31774905e+01 2.11679590e-02-7.32492286e-06 1.14611066e-09-6.68563153e-14 2 -4.91710026e+04-8.21255430e+01 5.76826124e+00 6.06569415e-02-4.16027924e-05 3 1.47692083e-08-2.16682973e-12-4.29692268e+04 1.18548495e+01 4 ic4ohket1-2 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1400.000 61 2.36000462e+01 1.67386686e-02-5.83968582e-06 9.19008298e-10-5.38335801e-14 2 -8.12611070e+04-9.81161510e+01 6.80111817e-01 7.47627954e-02-6.24774037e-05 3 2.61507104e-08-4.35922503e-12-7.38336515e+04 2.32485554e+01 4 ic4ohket1-3 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1396.000 61 2.19405383e+01 1.81065392e-02-6.30120262e-06 9.89882048e-10-5.79103136e-14 2 -7.86188315e+04-8.58904972e+01 1.17958660e+00 6.87127266e-02-5.37947123e-05 3 2.13733815e-08-3.42382361e-12-7.16626028e+04 2.47900567e+01 4 ic4ohket3-1 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1403.000 61 2.21259044e+01 1.76265007e-02-6.06229728e-06 9.44799728e-10-5.49651708e-14 2 -6.92279484e+04-8.22790814e+01 2.81358921e+00 6.66124113e-02-5.42086229e-05 3 2.26264271e-08-3.80266077e-12-6.29508915e+04 1.99946746e+01 4 ic4ohket3-2 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1401.000 61 2.23542573e+01 1.74286582e-02-5.99500699e-06 9.34539508e-10-5.43821104e-14 2 -6.63773451e+04-8.43400740e+01 2.25372044e+00 6.79496008e-02-5.49730657e-05 3 2.26213181e-08-3.73538230e-12-5.98170409e+04 2.22410253e+01 4 ic4ohket3-3 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1393.000 61 2.12403196e+01 1.86236323e-02-6.46216777e-06 1.01317610e-09-5.91919494e-14 2 -6.40977692e+04-7.62829995e+01 3.00424957e+00 5.97701374e-02-4.11710549e-05 3 1.40011512e-08-1.87498428e-12-5.76642704e+04 2.20970702e+01 4 ic4h8oh-1oh 7/111 thermc 4h 10o 2 0g 300.000 5000.000 1400.000 51 1.77748259e+01 2.14660347e-02-7.32395209e-06 1.13513994e-09-6.57794513e-14 2 -6.59791741e+04-6.74710397e+01-3.34394722e-03 6.36129788e-02-4.56846616e-05 3 1.70841200e-08-2.61803043e-12-5.98785560e+04 2.77690224e+01 4 ic4h8oh-1o 7//11 thermc 4h 9o 2 0g 300.000 5000.000 1396.000 51 1.82016769e+01 1.89517274e-02-6.54568195e-06 1.02304041e-09-5.96353821e-14 2 -3.99249009e+04-7.00758600e+01 3.34935618e-01 6.01623722e-02-4.25242612e-05 3 1.51694692e-08-2.17491476e-12-3.37004180e+04 2.60112344e+01 4 ic4h8oh-2oh 7//11 thermc 4h 10o 2 0g 300.000 5000.000 1395.000 51 1.71115636e+01 2.15404292e-02-7.24569929e-06 1.11242650e-09-6.40419613e-14 2 -6.39951680e+04-6.31593563e+01-4.55861990e-01 6.58069967e-02-5.10050518e-05 3 2.11674875e-08-3.62132445e-12-5.81912775e+04 3.00867656e+01 4 ic4h8oh-2o 7//11 thermc 4h 9o 2 0g 300.000 5000.000 1393.000 51 1.71996495e+01 1.96206104e-02-6.73460511e-06 1.04805490e-09-6.09069804e-14 2 -3.78339898e+04-6.39159064e+01-1.61304194e-01 6.26866156e-02-4.87490209e-05 3 2.01356521e-08-3.43324845e-12-3.20084154e+04 2.85125307e+01 4 ic4h8oh-3oh 7//11 thermc 4h 10o 2 0g 300.000 5000.000 1394.000 51 1.65343384e+01 2.18647729e-02-7.32472198e-06 1.12163319e-09-6.44604462e-14 2 -6.04683858e+04-5.78327373e+01-3.32669085e-01 6.19772379e-02-4.40478904e-05 3 1.65307834e-08-2.56149037e-12-5.46883454e+04 3.24908755e+01 4 ic4h8oh-3o 7//11 thermc 4h 9o 2 0g 300.000 5000.000 1390.000 51 1.43327357e+01 2.14891287e-02-7.25535332e-06 1.11655915e-09-6.43819302e-14 2 -4.27107636e+04-4.51229018e+01 7.39725401e-01 5.25825111e-02-3.49166802e-05 3 1.25896059e-08-1.93806448e-12-3.78544327e+04 2.82308146e+01 4 ic4h7oho1-2 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1402.000 31 1.77502581e+01 1.75775368e-02-6.05888324e-06 9.45745449e-10-5.50824388e-14 2 -4.73255167e+04-7.18277893e+01-2.20646366e+00 6.76421683e-02-5.45301255e-05 3 2.23923891e-08-3.69441203e-12-4.07971333e+04 3.40332596e+01 4 ic4h7oho1-3 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1406.000 21 1.57281631e+01 1.94424385e-02-6.64093047e-06 1.03022514e-09-5.97436599e-14 2 -4.42523268e+04-5.98591879e+01-3.33283809e+00 6.55594834e-02-4.92125269e-05 3 1.88243695e-08-2.89506490e-12-3.78624901e+04 4.18266803e+01 4 ic4h7oho2-3 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1400.000 31 1.60600832e+01 1.86417999e-02-6.34366985e-06 9.81605037e-10-5.68220151e-14 2 -4.16139961e+04-5.96016266e+01-2.39126369e+00 6.59794908e-02-5.37116652e-05 3 2.27987583e-08-3.92143820e-12-3.56433485e+04 3.79681509e+01 4 ic4h7oho3-3 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1398.000 21 1.49212035e+01 1.97076524e-02-6.64688861e-06 1.02281629e-09-5.89922391e-14 2 -3.90037099e+04-5.36366752e+01-4.10110063e+00 6.54073483e-02-4.84309194e-05 3 1.82909951e-08-2.77755740e-12-3.25998649e+04 4.79502827e+01 4 tc4h8oh-o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1396.000 61 2.04508664e+01 2.14971222e-02-7.37407203e-06 1.14702226e-09-6.66341818e-14 2 -5.78548458e+04-7.80836050e+01 1.88555737e+00 6.70361798e-02-5.10678512e-05 3 2.05990453e-08-3.43069062e-12-5.15896237e+04 2.09116666e+01 4 tc4h8oh-o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 1.84675920e+01 2.07600819e-02-7.14638353e-06 1.11413133e-09-6.48225696e-14 2 -4.01793340e+04-6.65920876e+01 2.89005593e+00 5.78243141e-02-4.19768118e-05 3 1.65161890e-08-2.74657518e-12-3.47429891e+04 1.69868466e+01 4 tc4h7oh-ooh 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1396.000 61 2.00254290e+01 1.93675560e-02-6.65191853e-06 1.03557843e-09-6.01963909e-14 2 -3.27873267e+04-7.22509723e+01 2.66520382e+00 6.24371701e-02-4.85238683e-05 3 1.99268614e-08-3.36703183e-12-2.69785493e+04 2.01441607e+01 4 tc4h8o-ooh 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 2.08821330e+01 1.89962142e-02-6.60459474e-06 1.03675811e-09-6.06165733e-14 2 -3.18137169e+04-8.07401163e+01 2.00328992e+00 6.45078168e-02-4.92698094e-05 3 1.95417156e-08-3.18069940e-12-2.53762871e+04 2.01888595e+01 4 tc4h7oh-ooh-ooh 11 thermc 4h 10o 5 0g 300.000 5000.000 1392.000 81 2.49192935e+01 2.23223448e-02-7.74381188e-06 1.21378809e-09-7.08940579e-14 2 -7.03307250e+04-9.41201815e+01 3.88408839e+00 7.18715351e-02-5.27810182e-05 3 2.00523525e-08-3.12905109e-12-6.30486465e+04 1.87372896e+01 4 tc4h7oh-ooh-o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1392.000 81 2.38870890e+01 2.05929331e-02-7.13241616e-06 1.11664870e-09-6.51638814e-14 2 -5.27439116e+04-8.74853114e+01 5.59539226e+00 6.45723632e-02-4.85134752e-05 3 1.92480678e-08-3.16805202e-12-4.64612818e+04 1.04019607e+01 4 tc4ohket 7/20/11 thermc 4h 8o 4 0g 300.000 5000.000 1399.000 61 2.22941432e+01 1.75536848e-02-6.05587038e-06 9.45995646e-10-5.51317181e-14 2 -6.63608680e+04-8.42993174e+01 3.03924770e+00 6.26862836e-02-4.58551137e-05 3 1.66096666e-08-2.37314749e-12-5.97809403e+04 1.89043310e+01 4 tc4h7oho 7/20/11 thermc 4h 8o 2 0g 300.000 5000.000 1400.000 21 1.54361153e+01 1.94651322e-02-6.60154339e-06 1.01936197e-09-5.89265296e-14 2 -4.25040529e+04-5.79117621e+01-4.20700384e+00 6.91817940e-02-5.53831229e-05 3 2.29683072e-08-3.85318551e-12-3.61056100e+04 4.61581211e+01 4 tc4h8oh-oh 7/11 thermc 4h 10o 2 0g 300.000 5000.000 1395.000 51 1.71115636e+01 2.15404292e-02-7.24569929e-06 1.11242650e-09-6.40419613e-14 2 -6.39951680e+04-6.31593563e+01-4.55861990e-01 6.58069967e-02-5.10050518e-05 3 2.11674875e-08-3.62132445e-12-5.81912775e+04 3.00867656e+01 4 tc4h8oh-o 7/11 thermc 4h 9o 2 0g 300.000 5000.000 1393.000 51 1.71996495e+01 1.96206104e-02-6.73460511e-06 1.04805490e-09-6.09069804e-14 2 -3.78339898e+04-6.39159064e+01-1.61304194e-01 6.26866156e-02-4.87490209e-05 3 2.01356521e-08-3.43324845e-12-3.20084154e+04 2.85125307e+01 4 sc4h8oh-1o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1398.000 61 2.05159637e+01 2.13774656e-02-7.31733441e-06 1.13645825e-09-6.59469060e-14 2 -5.78782269e+04-7.74741870e+01 1.08070418e+00 7.23687896e-02-6.02795207e-05 3 2.66743602e-08-4.80902430e-12-5.16223323e+04 2.50309291e+01 4 sc4h7oh-1ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1393.000 61 2.03777849e+01 1.81096978e-02-6.02526266e-06 9.19151744e-10-5.27087178e-14 2 -3.43104285e+04-7.34425208e+01 2.01581887e+00 6.37762094e-02-4.97397965e-05 3 2.00214661e-08-3.25559403e-12-2.82733042e+04 2.40866751e+01 4 sc4h7oh-1ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1398.000 61 2.00943730e+01 1.92409539e-02-6.59201926e-06 1.02444493e-09-5.94729990e-14 2 -3.28126115e+04-7.23538309e+01 1.83355721e+00 6.78739528e-02-5.78769529e-05 3 2.60823613e-08-4.76176352e-12-2.70068010e+04 2.37011499e+01 4 sc4h7oh-1ooh-m 11 thermc 4h 9o 3 0g 300.000 5000.000 1398.000 61 2.00943730e+01 1.92409539e-02-6.59201926e-06 1.02444493e-09-5.94729990e-14 2 -3.28126115e+04-7.23538309e+01 1.83355721e+00 6.78739528e-02-5.78769529e-05 3 2.60823613e-08-4.76176352e-12-2.70068010e+04 2.37011499e+01 4 sc4h8oh-1o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1394.000 61 1.85507508e+01 2.05981531e-02-7.06929580e-06 1.09980519e-09-6.38930170e-14 2 -4.02063166e+04-6.60768314e+01 2.04498551e+00 6.33076619e-02-5.13734662e-05 3 2.26738985e-08-4.13662953e-12-3.47689298e+04 2.12978252e+01 4 sc4h8oh-2o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1400.000 61 2.09296946e+01 2.10251202e-02-7.19767152e-06 1.11814187e-09-6.49003105e-14 2 -5.74332255e+04-7.96804263e+01 1.10791254e+00 7.04213323e-02-5.50658676e-05 3 2.24796406e-08-3.74234991e-12-5.08675172e+04 2.56623796e+01 4 sc4h8oh-2o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1396.000 61 1.87568585e+01 2.03739389e-02-6.98230572e-06 1.08532055e-09-6.30160896e-14 2 -3.96380610e+04-6.69970355e+01 2.13524137e+00 6.14284241e-02-4.69260974e-05 3 1.92131799e-08-3.26610490e-12-3.40305323e+04 2.15776786e+01 4 sc4h7oh-2ooh-m 11 thermc 4h 9o 3 0g 300.000 5000.000 1397.000 61 2.12003826e+01 1.85529860e-02-6.41430304e-06 1.00322922e-09-5.85117115e-14 2 -3.27965802e+04-7.88935500e+01 1.93206285e+00 6.44360074e-02-4.81327569e-05 3 1.82251180e-08-2.78012495e-12-2.62402169e+04 2.41999477e+01 4 sc4h7oh-2ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1397.000 61 2.12003826e+01 1.85529860e-02-6.41430304e-06 1.00322922e-09-5.85117115e-14 2 -3.27965802e+04-7.88935500e+01 1.93206285e+00 6.44360074e-02-4.81327569e-05 3 1.82251180e-08-2.78012495e-12-2.62402169e+04 2.41999477e+01 4 sc4h7oh-2ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1406.000 61 2.11922652e+01 1.80589651e-02-6.13087461e-06 9.47041468e-10-5.47510918e-14 2 -3.55313507e+04-7.90654156e+01-1.00185618e+00 8.11011253e-02-7.59166166e-05 3 3.60883156e-08-6.74914329e-12-2.89590622e+04 3.61316038e+01 4 sc4h8oh-mo2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1396.000 61 2.05719869e+01 2.14331117e-02-7.36147277e-06 1.14611364e-09-6.66263188e-14 2 -5.56278090e+04-7.63617728e+01 1.97319493e+00 6.54273053e-02-4.74300031e-05 3 1.78812578e-08-2.76810587e-12-4.92210487e+04 2.33348218e+01 4 sc4h8oh-mo2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 1.84220768e+01 2.07527760e-02-7.13409936e-06 1.11122968e-09-6.46148343e-14 2 -3.78382562e+04-6.38010094e+01 3.06236468e+00 5.62087709e-02-3.89540001e-05 3 1.43977022e-08-2.24209555e-12-3.23950383e+04 1.89519218e+01 4 sc4h7oh-mooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1404.000 61 2.08838826e+01 1.84143977e-02-6.27435226e-06 9.71626043e-10-5.62716205e-14 2 -3.37486979e+04-7.60347713e+01 1.13252134e-01 7.48697868e-02-6.62068877e-05 3 3.00982189e-08-5.45131495e-12-2.73478095e+04 3.26690224e+01 4 sc4h7oh-mooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1389.000 61 1.98063406e+01 1.87685683e-02-6.28707308e-06 9.63331463e-10-5.54068117e-14 2 -3.17630409e+04-6.86284203e+01 3.17780197e+00 5.60382452e-02-3.70231268e-05 3 1.19375206e-08-1.46538834e-12-2.59170780e+04 2.10927144e+01 4 sc4h7oh-mooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1393.000 61 2.07188705e+01 1.90150977e-02-6.58534886e-06 1.03113106e-09-6.01847089e-14 2 -3.09253594e+04-7.48279893e+01 2.71887341e+00 5.97729146e-02-4.12319496e-05 3 1.41705979e-08-1.93578578e-12-2.45795802e+04 2.22439126e+01 4 sc4h8oh-3o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1396.000 61 2.05719869e+01 2.14331117e-02-7.36147277e-06 1.14611364e-09-6.66263188e-14 2 -5.56278090e+04-7.63617728e+01 1.97319493e+00 6.54273053e-02-4.74300031e-05 3 1.78812578e-08-2.76810587e-12-4.92210487e+04 2.33348218e+01 4 sc4h8oh-3o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 1.84220768e+01 2.07527760e-02-7.13409936e-06 1.11122968e-09-6.46148343e-14 2 -3.78382562e+04-6.38010094e+01 3.06236468e+00 5.62087709e-02-3.89540001e-05 3 1.43977022e-08-2.24209555e-12-3.23950383e+04 1.89519218e+01 4 sc4h7oh-3ooh-m 11 thermc 4h 9o 3 0g 300.000 5000.000 1393.000 61 2.07188705e+01 1.90150977e-02-6.58534886e-06 1.03113106e-09-6.01847089e-14 2 -3.09253594e+04-7.48279893e+01 2.71887341e+00 5.97729146e-02-4.12319496e-05 3 1.41705979e-08-1.93578578e-12-2.45795802e+04 2.22439126e+01 4 sc4h7oh-3ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1404.000 61 2.08838826e+01 1.84143977e-02-6.27435226e-06 9.71626043e-10-5.62716205e-14 2 -3.37486979e+04-7.60347713e+01 1.13252134e-01 7.48697868e-02-6.62068877e-05 3 3.00982189e-08-5.45131495e-12-2.73478095e+04 3.26690224e+01 4 sc4h7oh-3ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1389.000 61 1.98063406e+01 1.87685683e-02-6.28707308e-06 9.63331463e-10-5.54068117e-14 2 -3.17630409e+04-6.86284203e+01 3.17780197e+00 5.60382452e-02-3.70231268e-05 3 1.19375206e-08-1.46538834e-12-2.59170780e+04 2.10927144e+01 4 sc4o5h223 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1401.000 81 2.58973959e+01 2.11916338e-02-7.28624373e-06 1.13523981e-09-6.60292515e-14 2 -6.97672170e+04-9.85462487e+01 3.97332880e+00 7.68223984e-02-6.22425253e-05 3 2.61135941e-08-4.43557131e-12-6.26141154e+04 1.76004073e+01 4 sc4h7oh-2ooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.39398843e+01 2.03921739e-02-7.02824773e-06 1.09671963e-09-6.38540050e-14 2 -5.20929730e+04-8.71803892e+01 4.97744694e+00 6.76209545e-02-5.31394633e-05 3 2.19849137e-08-3.73283900e-12-4.57678552e+04 1.36744811e+01 4 sc4h7oh-3ooh-2o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.39398843e+01 2.03921739e-02-7.02824773e-06 1.09671963e-09-6.38540050e-14 2 -5.20929730e+04-8.71803892e+01 4.97744694e+00 6.76209545e-02-5.31394633e-05 3 2.19849137e-08-3.73283900e-12-4.57678552e+04 1.36744811e+01 4 sc4o5h212 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1397.000 81 2.54508312e+01 2.16977675e-02-7.48879842e-06 1.16976132e-09-6.81565732e-14 2 -7.21847999e+04-9.81058466e+01 2.37307697e+00 8.18736687e-02-6.92198897e-05 3 3.04672879e-08-5.42151136e-12-6.47639710e+04 2.36687571e+01 4 sc4h7oh-1ooh-2o2 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33924413e+01 2.09518929e-02-7.24228224e-06 1.13231088e-09-6.60146156e-14 2 -5.44750209e+04-8.61661018e+01 3.29728731e+00 7.27202725e-02-6.01576598e-05 3 2.63610798e-08-4.72262582e-12-4.78957036e+04 2.01854119e+01 4 sc4h7oh-2ooh-1o2 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33924413e+01 2.09518929e-02-7.24228224e-06 1.13231088e-09-6.60146156e-14 2 -5.44750209e+04-8.61661018e+01 3.29728731e+00 7.27202725e-02-6.01576598e-05 3 2.63610798e-08-4.72262582e-12-4.78957036e+04 2.01854119e+01 4 sc4o5h213 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1394.000 81 2.50587597e+01 2.21123137e-02-7.65002168e-06 1.19683957e-09-6.98110757e-14 2 -7.03655926e+04-9.45873542e+01 3.16556073e+00 7.70874094e-02-6.18848813e-05 3 2.60491481e-08-4.48512321e-12-6.31027124e+04 2.17058851e+01 4 sc4h7oh-1ooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1391.000 81 2.29909500e+01 2.13697029e-02-7.40369000e-06 1.15932823e-09-6.76622023e-14 2 -5.26560934e+04-8.26012934e+01 4.06466670e+00 6.79516385e-02-5.28018463e-05 3 2.19147396e-08-3.77798490e-12-4.62278755e+04 1.83596275e+01 4 sc4h7oh-3ooh-1o2 thermc 4h 9o 5 0g 300.000 5000.000 1391.000 81 2.29909500e+01 2.13697029e-02-7.40369000e-06 1.15932823e-09-6.76622023e-14 2 -5.26560934e+04-8.26012934e+01 4.06466670e+00 6.79516385e-02-5.28018463e-05 3 2.19147396e-08-3.77798490e-12-4.62278755e+04 1.83596275e+01 4 sc4o5h2m1 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1394.000 81 2.50587597e+01 2.21123137e-02-7.65002168e-06 1.19683957e-09-6.98110757e-14 2 -7.03655926e+04-9.45873542e+01 3.16556073e+00 7.70874094e-02-6.18848813e-05 3 2.60491481e-08-4.48512321e-12-6.31027124e+04 2.17058851e+01 4 sc4h7oh-mooh-1o2 thermc 4h 9o 5 0g 300.000 5000.000 1391.000 81 2.29909500e+01 2.13697029e-02-7.40369000e-06 1.15932823e-09-6.76622023e-14 2 -5.26560934e+04-8.26012934e+01 4.06466670e+00 6.79516385e-02-5.28018463e-05 3 2.19147396e-08-3.77798490e-12-4.62278755e+04 1.83596275e+01 4 sc4h7oh-1ooh-mo2 thermc 4h 9o 5 0g 300.000 5000.000 1391.000 81 2.29909500e+01 2.13697029e-02-7.40369000e-06 1.15932823e-09-6.76622023e-14 2 -5.26560934e+04-8.26012934e+01 4.06466670e+00 6.79516385e-02-5.28018463e-05 3 2.19147396e-08-3.77798490e-12-4.62278755e+04 1.83596275e+01 4 sc4o5h2m2 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1401.000 81 2.58973959e+01 2.11916338e-02-7.28624373e-06 1.13523981e-09-6.60292515e-14 2 -6.97672170e+04-9.85462487e+01 3.97332880e+00 7.68223984e-02-6.22425253e-05 3 2.61135941e-08-4.43557131e-12-6.26141154e+04 1.76004073e+01 4 sc4h7oh-mooh-2o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.39398843e+01 2.03921739e-02-7.02824773e-06 1.09671963e-09-6.38540050e-14 2 -5.20929730e+04-8.71803892e+01 4.97744694e+00 6.76209545e-02-5.31394633e-05 3 2.19849137e-08-3.73283900e-12-4.57678552e+04 1.36744811e+01 4 sc4h7oh-2ooh-mo2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.39398843e+01 2.03921739e-02-7.02824773e-06 1.09671963e-09-6.38540050e-14 2 -5.20929730e+04-8.71803892e+01 4.97744694e+00 6.76209545e-02-5.31394633e-05 3 2.19849137e-08-3.73283900e-12-4.57678552e+04 1.36744811e+01 4 sc4o5h2m3 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1398.000 81 2.55391374e+01 2.16006209e-02-7.45062645e-06 1.16333650e-09-6.77642042e-14 2 -6.79657050e+04-9.52376496e+01 4.86022233e+00 7.16615199e-02-5.43055793e-05 3 2.13117914e-08-3.41445541e-12-6.09689544e+04 1.51827544e+01 4 sc4h7oh-mooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1393.000 81 2.35904346e+01 2.07852527e-02-7.18543328e-06 1.12352685e-09-6.55075290e-14 2 -5.02942222e+04-8.39197460e+01 5.86411906e+00 6.24567610e-02-4.51867840e-05 3 1.71647716e-08-2.70605484e-12-4.41225862e+04 1.12585295e+01 4 sc4h7oh-3ooh-mo2 thermc 4h 9o 5 0g 300.000 5000.000 1393.000 81 2.35904346e+01 2.07852527e-02-7.18543328e-06 1.12352685e-09-6.55075290e-14 2 -5.02942222e+04-8.39197460e+01 5.86411906e+00 6.24567610e-02-4.51867840e-05 3 1.71647716e-08-2.70605484e-12-4.41225862e+04 1.12585295e+01 4 sc4ohket1-2 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1399.000 61 2.23225266e+01 1.75133812e-02-6.03718893e-06 9.42487223e-10-5.49004908e-14 2 -6.47745610e+04-8.43437390e+01 3.67230730e+00 6.18043608e-02-4.59489952e-05 3 1.71537572e-08-2.55734987e-12-5.84409642e+04 1.54443355e+01 4 sc4ohket1-3 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1399.000 61 2.23225266e+01 1.75133812e-02-6.03718893e-06 9.42487223e-10-5.49004908e-14 2 -6.47745610e+04-8.43437390e+01 3.67230730e+00 6.18043608e-02-4.59489952e-05 3 1.71537572e-08-2.55734987e-12-5.84409642e+04 1.54443355e+01 4 sc4ohket1-m 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1399.000 61 2.23225266e+01 1.75133812e-02-6.03718893e-06 9.42487223e-10-5.49004908e-14 2 -6.47745610e+04-8.43437390e+01 3.67230730e+00 6.18043608e-02-4.59489952e-05 3 1.71537572e-08-2.55734987e-12-5.84409642e+04 1.54443355e+01 4 sc4ohketm-1 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1399.000 61 2.23225266e+01 1.75133812e-02-6.03718893e-06 9.42487223e-10-5.49004908e-14 2 -6.47745610e+04-8.43437390e+01 3.67230730e+00 6.18043608e-02-4.59489952e-05 3 1.71537572e-08-2.55734987e-12-5.84409642e+04 1.54443355e+01 4 sc4ohketm-2 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1397.000 61 2.26236144e+01 1.74928879e-02-6.08207776e-06 9.54899751e-10-5.58418135e-14 2 -6.68100502e+04-8.52704440e+01 1.82195361e+00 6.89337049e-02-5.51450837e-05 3 2.23627975e-08-3.64648518e-12-5.99213043e+04 2.53534863e+01 4 sc4ohketm-3 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1393.000 61 2.22530952e+01 1.78873873e-02-6.23602482e-06 9.80806594e-10-5.74267291e-14 2 -6.49969705e+04-8.18758553e+01 2.62206938e+00 6.41666593e-02-4.78379237e-05 3 1.79546249e-08-2.71075341e-12-5.82629486e+04 2.33375199e+01 4 sc4ohket2-m 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1391.000 61 2.17059980e+01 1.83853863e-02-6.41488800e-06 1.00943917e-09-5.91220097e-14 2 -6.86093542e+04-7.94401848e+01 2.20355721e+00 6.43658210e-02-4.79700781e-05 3 1.81630521e-08-2.78894280e-12-6.18955996e+04 2.51233073e+01 4 sc4ohket2-1 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1392.000 61 2.15642053e+01 1.84112710e-02-6.40291005e-06 1.00539341e-09-5.87984400e-14 2 -6.84817471e+04-8.10932304e+01 2.96337906e+00 6.08378357e-02-4.28194676e-05 3 1.49922658e-08-2.08825637e-12-6.19596082e+04 1.91021983e+01 4 sc4ohket2-3 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1401.000 61 2.23574994e+01 1.75642377e-02-6.07076393e-06 9.49256379e-10-5.53520506e-14 2 -6.71250746e+04-8.29050178e+01-8.16366184e-01 8.11655751e-02-7.43885516e-05 3 3.45644357e-08-6.35627349e-12-6.00294150e+04 3.81860172e+01 4 sc4ohket3-m 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1392.000 61 2.08748913e+01 1.87769501e-02-6.47722303e-06 1.01133904e-09-5.89077414e-14 2 -6.49255900e+04-7.31800275e+01 4.55246537e+00 5.84020638e-02-4.42380164e-05 3 1.77933898e-08-2.97090028e-12-5.93534500e+04 1.40404665e+01 4 sc4ohket3-1 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1394.000 61 2.12617871e+01 1.84078612e-02-6.34006427e-06 9.88833756e-10-5.75507532e-14 2 -6.73998961e+04-7.69475182e+01 3.50279177e+00 6.57950467e-02-5.67122958e-05 3 2.58986863e-08-4.79549096e-12-6.17299954e+04 1.64915277e+01 4 sc4ohket3-2 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1403.000 61 2.23743207e+01 1.73715016e-02-5.96462082e-06 9.28543003e-10-5.39777697e-14 2 -6.60917591e+04-8.37111314e+01 1.26882893e+00 7.40863773e-02-6.54408809e-05 3 2.95064807e-08-5.29696893e-12-5.95303323e+04 2.69638453e+01 4 sc4h8oh-moh 7/11 thermc 4h 10o 2 0g 300.000 5000.000 1398.000 51 1.63681318e+01 2.25212634e-02-7.65436958e-06 1.18300191e-09-6.84092043e-14 2 -6.14026057e+04-5.64514485e+01 2.25866702e-01 6.20831962e-02-4.58398380e-05 3 1.83839554e-08-3.08781379e-12-5.59191321e+04 2.96885436e+01 4 sc4h8oh-mo 7/11 thermc 4h 9o 2 0g 300.000 5000.000 1394.000 51 1.67892013e+01 2.00394734e-02-6.89347746e-06 1.07426032e-09-6.24868724e-14 2 -3.53579623e+04-5.90524522e+01 3.22902420e-01 5.96523141e-02-4.41961108e-05 3 1.74296551e-08-2.86189445e-12-2.97027864e+04 2.90605909e+01 4 sc4h8oh-1oh 7/11 thermc 4h 10o 2 0g 300.000 5000.000 1395.000 51 1.70944441e+01 2.15850691e-02-7.26733360e-06 1.11642055e-09-6.42985022e-14 2 -6.39942278e+04-6.23875540e+01-5.00963562e-01 6.60066204e-02-5.13199676e-05 3 2.13872903e-08-3.67524528e-12-5.81843298e+04 3.09858616e+01 4 sc4h8oh-1o 7/11 thermc 4h 9o 2 0g 300.000 5000.000 1393.000 51 1.71903400e+01 1.96504733e-02-6.74964702e-06 1.05088737e-09-6.10912234e-14 2 -3.78362592e+04-6.31877115e+01-2.00134808e-01 6.28475356e-02-4.89966954e-05 3 2.03076489e-08-3.47559530e-12-3.20021222e+04 2.93848477e+01 4 sc4h8oh-3oh 7/11 thermc 4h 10o 2 0g 300.000 5000.000 1398.000 51 1.63681318e+01 2.25212634e-02-7.65436958e-06 1.18300191e-09-6.84092043e-14 2 -6.14026057e+04-5.64514485e+01 2.25866702e-01 6.20831962e-02-4.58398380e-05 3 1.83839554e-08-3.08781379e-12-5.59191321e+04 2.96885436e+01 4 sc4h8oh-3o 7/11 thermc 4h 9o 2 0g 300.000 5000.000 1394.000 51 1.67892013e+01 2.00394734e-02-6.89347746e-06 1.07426032e-09-6.24868724e-14 2 -3.53579623e+04-5.90524522e+01 3.22902420e-01 5.96523141e-02-4.41961108e-05 3 1.74296551e-08-2.86189445e-12-2.97027864e+04 2.90605909e+01 4 sc4h8oh-2oh 7/11 thermc 4h 10o 2 0g 300.000 5000.000 1400.000 51 1.70023082e+01 2.19643818e-02-7.45810630e-06 1.15192245e-09-6.65812579e-14 2 -6.37666695e+04-6.16349729e+01-7.56094164e-01 6.84056171e-02-5.55466000e-05 3 2.42741872e-08-4.34962169e-12-5.80319537e+04 3.20841956e+01 4 sc4h8oh-2o 7/11 thermc 4h 9o 2 0g 300.000 5000.000 1393.000 51 1.73909351e+01 1.96575892e-02-6.79046843e-06 1.06118310e-09-6.18472025e-14 2 -3.77614257e+04-6.34708815e+01-2.82354905e-01 6.41795370e-02-5.12586981e-05 3 2.18364445e-08-3.83684537e-12-3.18686962e+04 3.04296719e+01 4 sc4h7oho1-2 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1413.000 31 1.58569510e+01 1.70055782e-02-5.40014578e-06 7.96413050e-10-4.45517163e-14 2 -4.45149656e+04-6.93540035e+01-5.16611279e+00 8.07830733e-02-7.93753973e-05 3 3.91547570e-08-7.47319919e-12-3.87706113e+04 3.81985223e+01 4 sc4h7oho2-m 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1404.000 21 1.54542770e+01 1.96288088e-02-6.69326077e-06 1.03701140e-09-6.00785818e-14 2 -4.23122667e+04-5.70668443e+01-4.27023057e+00 7.06250201e-02-5.80395559e-05 3 2.47765588e-08-4.27067781e-12-3.59798314e+04 4.70767406e+01 4 sc4h7oho1-m 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1399.000 31 1.60458286e+01 1.86794657e-02-6.36207513e-06 9.85022906e-10-5.70424974e-14 2 -4.16141267e+04-5.95346855e+01-2.42791051e+00 6.61371207e-02-5.39628650e-05 3 2.29777158e-08-3.96610816e-12-3.56375416e+04 3.81396246e+01 4 sc4h7oho3-m 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1403.000 11 1.42286272e+01 2.11384950e-02-7.22419848e-06 1.12098157e-09-6.50133124e-14 2 -5.00598613e+04-5.08604679e+01-5.50351342e+00 6.97096585e-02-5.33975307e-05 3 2.12226123e-08-3.43037411e-12-4.34870565e+04 5.41796877e+01 4 sc4h7oho1-3 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1399.000 21 1.54161355e+01 1.95129506e-02-6.62443986e-06 1.02357015e-09-5.91962246e-14 2 -4.25020527e+04-5.78132244e+01-4.24916483e+00 6.93656488e-02-5.56762674e-05 3 2.31759698e-08-3.90465675e-12-3.60990076e+04 4.63548175e+01 4 sc4h7oho2-3 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1404.000 31 1.62165615e+01 1.85631155e-02-6.32654108e-06 9.79819238e-10-5.67491402e-14 2 -4.14638917e+04-5.95073639e+01-2.50126156e+00 6.76404496e-02-5.65916402e-05 3 2.46417467e-08-4.32619830e-12-3.55114023e+04 3.90979401e+01 4 !pentane base mech nc5h12 8/ 4/ 4 thermc 5h 12 0 0g 300.000 5000.000 1396.000 41 1.59247008e+01 2.59703101e-02-8.86821278e-06 1.37514707e-09-7.97105419e-14 2 -2.60824218e+04-6.16997349e+01-1.67881131e+00 6.41231428e-02-3.96458285e-05 3 1.23445155e-08-1.53325385e-12-1.96474971e+04 3.39348804e+01 4 c5h11-1 8/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1396.000 41 1.54992372e+01 2.38273176e-02-8.13845161e-06 1.26220569e-09-7.31730066e-14 2 -1.00988975e+03-5.58563592e+01-9.94216435e-01 5.99860809e-02-3.78318587e-05 3 1.21310895e-08-1.57042863e-12 4.97697538e+03 3.35998032e+01 4 c5h11-2 8/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1391.000 41 1.48744992e+01 2.40593799e-02-8.15587903e-06 1.25867109e-09-7.27223868e-14 2 -2.14733945e+03-5.17907576e+01 7.25187788e-01 4.97343569e-02-2.18806076e-05 3 2.09007834e-09 6.62752863e-13 3.46418370e+03 2.67485348e+01 4 c5h11-3 8/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1391.000 41 1.48744992e+01 2.40593799e-02-8.15587903e-06 1.25867109e-09-7.27223868e-14 2 -2.14733945e+03-5.24802393e+01 7.25187788e-01 4.97343569e-02-2.18806076e-05 3 2.09007834e-09 6.62752863e-13 3.46418370e+03 2.60590532e+01 4 c5h10-1 4/ 7/97 thermc 5h 10 0 0g 300.000 5000.000 1392.000 31 1.45851539e+01 2.24072471e-02-7.63348025e-06 1.18188966e-09-6.84385139e-14 2 -1.00898205e+04-5.23683936e+01-1.06223481e+00 5.74218294e-02-3.74486890e-05 3 1.27364989e-08-1.79609789e-12-4.46546666e+03 3.22739790e+01 4 c5h10-2 4/ 7/97 thermc 5h 10 0 0g 300.000 5000.000 1389.000 31 1.41109267e+01 2.28348272e-02-7.78626835e-06 1.20627491e-09-6.98795983e-14 2 -1.14336507e+04-5.01601163e+01-5.41560551e-01 5.39629918e-02-3.23508738e-05 3 9.77416037e-09-1.18534668e-12-5.98606169e+03 2.97142748e+01 4 c5h81-3 3/27/97 thermc 5h 8 0 0g 300.000 5000.000 1396.000 21 1.45574490e+01 1.80939266e-02-6.21671892e-06 9.67920254e-10-5.62629326e-14 2 1.22365462e+03-5.43889766e+01-2.32617433e+00 6.38696042e-02-5.57052591e-05 3 2.58049480e-08-4.83405924e-12 6.55183321e+03 3.42036513e+01 4 c5h91-3 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1392.000 21 1.41860454e+01 2.07128899e-02-7.06960617e-06 1.09607133e-09-6.35322208e-14 2 7.00496135e+03-5.14501773e+01-1.38013950e+00 5.57608487e-02-3.70143928e-05 3 1.26883901e-08-1.78538835e-12 1.25589824e+04 3.26441304e+01 4 c5h91-4 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1379.000 31 1.39904314e+01 1.99962562e-02-6.73105937e-06 1.03447598e-09-5.96148983e-14 2 1.36075123e+04-4.58753046e+01 2.07302224e-01 4.75322572e-02-2.55232300e-05 3 5.70570808e-09-2.53926602e-13 1.88300100e+04 2.97527890e+01 4 c5h91-5 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1392.000 31 1.41604486e+01 2.02710046e-02-6.90765357e-06 1.06972742e-09-6.19529514e-14 2 1.49795090e+04-4.72301324e+01-3.00352280e-01 5.29029897e-02-3.50199571e-05 3 1.21280172e-08-1.74459793e-12 2.01482388e+04 3.08938514e+01 4 c5h92-4 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1389.000 21 1.37128284e+01 2.11391857e-02-7.22186145e-06 1.12036442e-09-6.49675872e-14 2 5.66079366e+03-4.92475603e+01-8.61323386e-01 5.23106875e-02-3.19282664e-05 3 9.73236622e-09-1.17585595e-12 1.10386471e+04 3.00928924e+01 4 c5h92-5 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1389.000 31 1.36885460e+01 2.06966684e-02-7.05980383e-06 1.09401634e-09-6.33885833e-14 2 1.36345574e+04-4.50306538e+01 2.16350550e-01 4.94614176e-02-2.99438792e-05 3 9.17728978e-09-1.13613754e-12 1.86282306e+04 2.83575279e+01 4 c5h9o1-3 4/ 7/97 thermc 5h 9o 1 0g 300.000 5000.000 1393.000 31 1.86270165e+01 1.85189638e-02-6.21111137e-06 9.52916260e-10-5.48704082e-14 2 -4.97349374e+03-7.09678919e+01-2.22532588e+00 6.97271843e-02-5.42285799e-05 3 2.13591167e-08-3.36511599e-12 1.91826163e+03 3.99711270e+01 4 c5h9o2-4 4/ 7/97 thermc 5h 9o 1 0g 300.000 5000.000 1387.000 31 1.86104516e+01 1.87100216e-02-6.31627652e-06 9.73434030e-10-5.62316246e-14 2 -6.59575918e+03-7.05163465e+01-1.66449167e+00 6.51525448e-02-4.57159226e-05 3 1.55903830e-08-2.04144207e-12 4.10326271e+02 3.84890543e+01 4 c5h11o-1 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1391.000 41 1.73225378e+01 2.48217999e-02-8.48159842e-06 1.31587304e-09-7.63050620e-14 2 -1.83356880e+04-6.37681611e+01-9.02925873e-02 6.34116550e-02-4.09268668e-05 3 1.36982820e-08-1.89646466e-12-1.20333690e+04 3.05672313e+01 4 c5h11o-2 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1396.000 41 1.78183150e+01 2.44541516e-02-8.36505611e-06 1.29863054e-09-7.53356869e-14 2 -2.06350810e+04-6.67615213e+01-4.94527725e-01 6.73149844e-02-4.72324734e-05 3 1.75936532e-08-2.73651943e-12-1.42372243e+04 3.16370708e+01 4 c5h11o-3 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1396.000 41 1.78183150e+01 2.44541516e-02-8.36505611e-06 1.29863054e-09-7.53356869e-14 2 -2.06350810e+04-6.74510029e+01-4.94527725e-01 6.73149844e-02-4.72324734e-05 3 1.75936532e-08-2.73651943e-12-1.42372243e+04 3.09475892e+01 4 c5h11o2h-1 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1387.000 61 2.14180725e+01 2.62251472e-02-9.10691067e-06 1.42824507e-09-8.34473635e-14 2 -3.80401323e+04-8.39746734e+01 4.74596161e-01 7.38808098e-02-5.12216645e-05 3 1.87797149e-08-2.90291870e-12-3.05323779e+04 2.91362231e+01 4 c5h11o2h-2 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1390.000 61 2.21712264e+01 2.55540337e-02-8.86857346e-06 1.39034021e-09-8.12122040e-14 2 -4.06027396e+04-8.84830959e+01-2.68431172e-01 7.90975970e-02-5.89751277e-05 3 2.33029166e-08-3.83794655e-12-3.28329870e+04 3.17836191e+01 4 c5h11o2h-3 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1390.000 61 2.21712264e+01 2.55540337e-02-8.86857346e-06 1.39034021e-09-8.12122040e-14 2 -4.06027396e+04-8.84830959e+01-2.68431172e-01 7.90975970e-02-5.89751277e-05 3 2.33029166e-08-3.83794655e-12-3.28329870e+04 3.17836191e+01 4 c5h11o2-1 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1386.000 51 1.89702536e+01 2.60355552e-02-9.00706834e-06 1.40888868e-09-8.21618381e-14 2 -2.01253683e+04-6.97477616e+01 1.39788038e+00 6.52788893e-02-4.34224032e-05 3 1.57151743e-08-2.46631324e-12-1.36791222e+04 2.55411824e+01 4 c5h11o2-2 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1389.000 51 1.96655539e+01 2.53946113e-02-8.77477373e-06 1.37145913e-09-7.99350015e-14 2 -2.26521255e+04-7.38934310e+01 7.10786402e-01 7.03521821e-02-5.11565299e-05 3 2.03005197e-08-3.42470585e-12-1.59903126e+04 2.79113132e+01 4 c5h11o2-3 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1389.000 51 1.96655539e+01 2.53946113e-02-8.77477373e-06 1.37145913e-09-7.99350015e-14 2 -2.26521255e+04-7.38934310e+01 7.10786402e-01 7.03521821e-02-5.11565299e-05 3 2.03005197e-08-3.42470585e-12-1.59903126e+04 2.79113132e+01 4 c5h10ooh1-2 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-3 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-4 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-5 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1387.000 61 2.10114488e+01 2.40561226e-02-8.36616955e-06 1.31339875e-09-7.67917194e-14 2 -1.29757849e+04-7.89329903e+01 1.26957212e+00 6.92172253e-02-4.85626715e-05 3 1.80144791e-08-2.81415382e-12-5.92384799e+03 2.76017751e+01 4 c5h10ooh2-1 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh2-3 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10ooh2-4 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10ooh2-5 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh3-1 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh3-2 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10o1-2 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1382.000 61 1.83450823e+01 2.15894287e-02-7.59914917e-06 1.20265688e-09-7.07149348e-14 2 -2.52918816e+04-7.38748127e+01-2.50915891e+00 7.02820905e-02-5.23078154e-05 3 2.05330738e-08-3.37999472e-12-1.79263879e+04 3.83402738e+01 4 c5h10o1-3 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1370.000 61 1.85051134e+01 2.17909650e-02-7.74803799e-06 1.23453810e-09-7.29327086e-14 2 -2.62151881e+04-7.74524221e+01-2.70067147e+00 6.51234466e-02-3.97863209e-05 3 1.12983558e-08-1.18141056e-12-1.81611984e+04 3.87589334e+01 4 c5h10o1-4 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1371.000 61 1.77074517e+01 2.24725523e-02-7.98404192e-06 1.27146816e-09-7.50866945e-14 2 -3.63066445e+04-7.27392560e+01-3.94205066e+00 6.68440102e-02-4.09940878e-05 3 1.17684771e-08-1.26029870e-12-2.80943137e+04 4.58617150e+01 4 c5h10o1-5 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1457.000 61 2.13684109e+01 1.97321411e-02-7.12842160e-06 1.14789888e-09-6.83162787e-14 2 -3.89834904e+04-1.00032176e+02-3.02904503e+00 6.01320166e-02-2.12072490e-05 3 -4.91313274e-09 3.07577547e-12-2.91028862e+04 3.64698785e+01 4 c5h10o2-3 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1385.000 61 1.89379846e+01 2.10434849e-02-7.40107577e-06 1.17069402e-09-6.88106356e-14 2 -2.76228814e+04-7.74017673e+01-3.03891874e+00 7.46406721e-02-5.91275018e-05 3 2.46307903e-08-4.24312686e-12-2.01088998e+04 4.00106761e+01 4 c5h10o2-4 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1376.000 61 1.91186278e+01 2.12169126e-02-7.53764833e-06 1.20035780e-09-7.08866585e-14 2 -2.85216189e+04-8.03408390e+01-3.50702064e+00 7.13707278e-02-4.99483546e-05 3 1.76515898e-08-2.56653255e-12-2.03198734e+04 4.22612571e+01 4 c5h10ooh1-2o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh1-3o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh1-4o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh1-5o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1385.000 71 2.48666576e+01 2.56688838e-02-8.97169324e-06 1.41315614e-09-8.28158711e-14 2 -3.21479218e+04-9.51211738e+01 2.81997434e+00 7.72690504e-02-5.67282509e-05 3 2.23236523e-08-3.71501383e-12-2.43447483e+04 2.35135259e+01 4 c5h10ooh2-1o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh2-3o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1389.000 71 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71537284e+04-1.03435286e+02 2.08935173e+00 8.57156954e-02-7.04986902e-05 3 3.07497216e-08-5.51132533e-12-2.90970365e+04 2.50297599e+01 4 c5h10ooh2-4o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1389.000 71 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71537284e+04-1.03435286e+02 2.08935173e+00 8.57156954e-02-7.04986902e-05 3 3.07497216e-08-5.51132533e-12-2.90970365e+04 2.50297599e+01 4 c5h10ooh2-5o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh3-1o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh3-2o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1389.000 71 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71537284e+04-1.03435286e+02 2.08935173e+00 8.57156954e-02-7.04986902e-05 3 3.07497216e-08-5.51132533e-12-2.90970365e+04 2.50297599e+01 4 nc5ket12 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1389.000 61 2.34427049e+01 2.21540692e-02-7.74817880e-06 1.22107095e-09-7.15883644e-14 2 -4.99350593e+04-9.09970812e+01 5.64845658e-01 7.74889690e-02-6.00818427e-05 3 2.42432817e-08-4.02329880e-12-4.21262314e+04 3.12910774e+01 4 nc5ket13 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.27897549e+01 2.26387719e-02-7.89832354e-06 1.24260309e-09-7.27609759e-14 2 -5.00526193e+04-8.71676166e+01 2.53945153e+00 7.08645319e-02-5.32266350e-05 3 2.12906293e-08-3.56676536e-12-4.29988725e+04 2.14543054e+01 4 nc5ket14 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.27897549e+01 2.26387719e-02-7.89832354e-06 1.24260309e-09-7.27609759e-14 2 -5.00526193e+04-8.71676166e+01 2.53945153e+00 7.08645319e-02-5.32266350e-05 3 2.12906293e-08-3.56676536e-12-4.29988725e+04 2.14543054e+01 4 nc5ket15 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1383.000 61 2.21776239e+01 2.31939864e-02-8.09797899e-06 1.27464047e-09-7.46625107e-14 2 -4.75611599e+04-8.35091033e+01 3.22565144e+00 6.57620962e-02-4.52752542e-05 3 1.64810866e-08-2.54467139e-12-4.06876266e+04 1.90851234e+01 4 nc5ket21 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1379.000 61 2.17534680e+01 2.36666119e-02-8.28610759e-06 1.30663620e-09-7.66324076e-14 2 -5.12815467e+04-8.09340957e+01 4.56687437e+00 6.01978739e-02-3.82935508e-05 3 1.29220662e-08-1.89791227e-12-4.47703435e+04 1.29580830e+01 4 nc5ket23 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.31409808e+01 2.24801534e-02-7.87662916e-06 1.24282516e-09-7.29252729e-14 2 -5.36784029e+04-9.00538236e+01 1.09304151e-01 7.75997760e-02-5.94124810e-05 3 2.36744270e-08-3.89094338e-12-4.57495597e+04 3.32799795e+01 4 nc5ket24 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1385.000 61 2.25126387e+01 2.29495597e-02-8.02286486e-06 1.26389975e-09-7.40777420e-14 2 -5.38122195e+04-8.63788737e+01 2.19333641e+00 7.04050260e-02-5.15856312e-05 3 2.00741570e-08-3.28568948e-12-4.66368524e+04 2.29520202e+01 4 nc5ket25 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1382.000 61 2.19099644e+01 2.35018200e-02-8.22261497e-06 1.29606701e-09-7.59914647e-14 2 -5.13242006e+04-8.27708903e+01 2.76270425e+00 6.58724877e-02-4.45144578e-05 3 1.58213340e-08-2.38800145e-12-4.43093682e+04 2.11180678e+01 4 nc5ket31 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1382.000 61 2.17723599e+01 2.36116706e-02-8.25813864e-06 1.30129886e-09-7.62813000e-14 2 -5.13543364e+04-8.16385880e+01 3.14481499e+00 6.64310592e-02-4.75232545e-05 3 1.85573234e-08-3.11995924e-12-4.46228757e+04 1.89760116e+01 4 nc5ket32 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.29536744e+01 2.26192649e-02-7.91922638e-06 1.24883440e-09-7.32467701e-14 2 -5.36792159e+04-8.86117968e+01 7.24497110e-01 7.71622935e-02-6.10369902e-05 3 2.55909432e-08-4.44696298e-12-4.60989830e+04 3.00522534e+01 4 c5h10oh-1 1/14/99 thermc 5h 11o 1 0g 300.000 5000.000 1371.000 51 1.75642279e+01 2.33577469e-02-7.81503517e-06 1.19674654e-09-6.88114207e-14 2 -2.11605652e+04-6.19821034e+01 9.51873649e-01 5.58286144e-02-2.87750953e-05 3 5.54684921e-09 1.10578801e-14-1.48168651e+04 2.93877119e+01 4 c5h10oh-2 1/14/99 thermc 5h 11o 1 0g 300.000 5000.000 1390.000 51 1.72742775e+01 2.39409708e-02-8.07388576e-06 1.24188426e-09-7.15926603e-14 2 -2.31054055e+04-6.11106423e+01 4.68530877e-01 6.05595171e-02-3.75900684e-05 3 1.16488887e-08-1.41506375e-12-1.70158316e+04 3.00652481e+01 4 o2c5h10oh-1 1/14/99 thrmc 5h 11o 3 0g 300.000 5000.000 1395.000 61 2.06059936e+01 2.61750874e-02-8.92270421e-06 1.38184638e-09-8.00235870e-14 2 -4.07496333e+04-7.38943495e+01 2.70461132e+00 6.83289096e-02-4.77921008e-05 3 1.81238720e-08-2.90871344e-12-3.44822614e+04 2.22673007e+01 4 o2c5h10oh-2 1/14/99 thrmc 5h 11o 3 0g 300.000 5000.000 1398.000 61 2.15259930e+01 2.54039694e-02-8.65952886e-06 1.34110440e-09-7.76663740e-14 2 -4.32473477e+04-8.00796638e+01 1.89616952e+00 7.37918569e-02-5.55488679e-05 3 2.24979959e-08-3.79045894e-12-3.66230283e+04 2.45460172e+01 4 nc5h11oh 11/ 4 thermc 5h 12o 1 0g 300.000 5000.000 1392.000 51 1.73986286e+01 2.66934378e-02-9.08555996e-06 1.40578658e-09-8.13632984e-14 2 -4.46250486e+04-6.40714237e+01-1.73798027e-01 6.55717710e-02-4.17813516e-05 3 1.39208046e-08-1.93209902e-12-3.82473307e+04 3.11698327e+01 4 c5h10oh11 c 5h 11o 1 g 0300.00 5000.00 1000.00 1 0.14813244e+02 0.24898961e-01-0.71971431e-05 0.10274235e-08-0.58895339e-13 2 -0.20843893e+05-0.45149879e+02 0.14720438e+00 0.65097839e-01-0.47863010e-04 3 0.18917410e-07-0.27873686e-11-0.16648805e+05 0.31012381e+02 4 c5h10oh12 c 5h 11o 1 g 0300.00 5000.00 1000.00 1 0.15123734e+02 0.24339365e-01-0.69388298e-05 0.97798403e-09-0.55428376e-13 2 -0.19053479e+05-0.46766655e+02-0.10367702e+01 0.73501892e-01-0.66691144e-04 3 0.36203776e-07-0.85090268e-11-0.14672529e+05 0.35951256e+02 4 c5h10oh13 c 5h 11o 1 g 0300.00 5000.00 1000.00 1 0.15187029e+02 0.24226518e-01-0.68725226e-05 0.96231512e-09-0.54142820e-13 2 -0.19078746e+05-0.47119179e+02-0.10546538e+01 0.73621169e-01-0.66966742e-04 3 0.36469736e-07-0.86006072e-11-0.14670545e+05 0.36027664e+02 4 c5h10oh14 c 5h 11o 1 g 0300.00 5000.00 1000.00 1 0.14868488e+02 0.24828123e-01-0.71626300e-05 0.10200835e-08-0.58329453e-13 2 -0.18999506e+05-0.45450478e+02 0.84279269e-01 0.65569028e-01-0.48788934e-04 3 0.19669949e-07-0.30107705e-11-0.14782293e+05 0.31268959e+02 4 c5h10oh15 c 5h 11o 1 g 0300.00 5000.00 1000.00 1 0.15475347e+02 0.24319727e-01-0.69868101e-05 0.99109565e-09-0.56465158e-13 2 -0.18121738e+05-0.49009346e+02-0.84957099e+00 0.71238436e-01-0.58610531e-04 3 0.27361477e-07-0.53796629e-11-0.13576224e+05 0.35193016e+02 4 c5h9oh1-4 11/ 2 thermc 5h 10o 1 0g 300.000 5000.000 1394.000 41 1.63397742e+01 2.29105601e-02-7.77902715e-06 1.20173455e-09-6.94792607e-14 2 -2.87007007e+04-5.72802977e+01-6.84638037e-01 6.30428268e-02-4.44461847e-05 3 1.66840162e-08-2.61353203e-12-2.27905869e+04 3.40792469e+01 4 c5h9oh1-3 11/ 2 thermc 5h 10o 1 0g 300.000 5000.000 1390.000 41 1.60159573e+01 2.30618681e-02-7.80637471e-06 1.20361030e-09-6.94976370e-14 2 -3.00865508e+04-5.58736033e+01-1.37497689e-01 5.94936624e-02-3.91249190e-05 3 1.34746360e-08-1.92636149e-12-2.43165802e+04 3.13928131e+01 4 c5h9oh1-2 11/ 2 thermc 5h 10o 1 0g 300.000 5000.000 1387.000 41 1.64061853e+01 2.25018309e-02-7.56907976e-06 1.16247063e-09-6.69514351e-14 2 -2.95671757e+04-5.80809933e+01 1.97531584e-01 5.76963107e-02-3.57393181e-05 3 1.09744912e-08-1.30828601e-12-2.36874616e+04 2.98902196e+01 4 c5h9oh1-1 11/ 2 thermc 5h 10o 1 0g 300.000 5000.000 1404.000 41 1.88402399e+01 2.07213749e-02-7.00668162e-06 1.07917426e-09-6.22553029e-14 2 -3.24792357e+04-7.37908378e+01-3.75711664e+00 8.61350068e-02-8.11095643e-05 3 3.92658441e-08-7.48846199e-12-2.58553432e+04 4.31553562e+01 4 c5h10o 11/ 3 thermc 5h 10o 1 0g 300.000 5000.000 1381.000 41 1.67965163e+01 2.25684519e-02-7.67631588e-06 1.18769369e-09-6.87545554e-14 2 -3.56826080e+04-6.09063312e+01 1.59663472e+00 5.43541416e-02-3.21020651e-05 3 9.35773559e-09-1.06688932e-12-2.99841025e+04 2.21281498e+01 4 c5h7oh42 11/ 3 thermc 5h 8o 1 0g 300.000 5000.000 1395.000 31 1.55417724e+01 1.92546772e-02-6.58911625e-06 1.02313281e-09-5.93598160e-14 2 -1.62416378e+04-5.41915476e+01-6.20436557e-01 6.16817238e-02-5.10400919e-05 3 2.27656520e-08-4.16435334e-12-1.10012047e+04 3.11105460e+01 4 c5h7oh13 11/ 3 thermc 5h 8o 1 0g 300.000 5000.000 1404.000 31 1.82729826e+01 1.66791524e-02-5.64386293e-06 8.69648447e-10-5.01820964e-14 2 -2.00925418e+04-7.08720543e+01-3.91654107e+00 8.56602331e-02-8.86779917e-05 3 4.56953118e-08-9.06793951e-12-1.40307455e+04 4.23339558e+01 4 c5h8oh43 11/ 3 c 5h 9o 1 0g 300.000 5000.000 1405.000 31 1.84438607e+01 1.90272351e-02-6.44340335e-06 9.93500110e-10-5.73593813e-14 2 -1.53852670e+04-7.17908431e+01-4.07055857e+00 8.44728210e-02-8.06818446e-05 3 3.92256584e-08-7.48019006e-12-8.83212758e+03 4.45977984e+01 4 c5h8oh32 11/ 3 c 5h 9o 1 0g 300.000 5000.000 1405.000 31 1.84438607e+01 1.90272351e-02-6.44340335e-06 9.93500110e-10-5.73593813e-14 2 -1.53852670e+04-7.28879744e+01-4.07055857e+00 8.44728210e-02-8.06818446e-05 3 3.92256584e-08-7.48019006e-12-8.83212758e+03 4.35006670e+01 4 c5h8oh21 11/ 3 c 5h 9o 1 0g 300.000 5000.000 1405.000 31 1.84438607e+01 1.90272351e-02-6.44340335e-06 9.93500110e-10-5.73593813e-14 2 -1.53852670e+04-7.28879744e+01-4.07055857e+00 8.44728210e-02-8.06818446e-05 3 3.92256584e-08-7.48019006e-12-8.83212758e+03 4.35006670e+01 4 c3h6oh-3 c 3h 7o 1 0g 300.00 5000.00 1000.00 1 0.11129050e+02 0.13060917e-01-0.33221684e-05 0.43202319e-09-0.23235532e-13 2 -0.11337852e+05-0.29346313e+02 0.98580189e-01 0.45494240e-01-0.43997876e-04 3 0.27192735e-07-0.74989806e-11-0.81605010e+04 0.27702703e+02 4 ! c5h10oh-1oh 11 thermc 5h 12o 2 0g 300.000 5000.000 1395.000 71 2.12895666e+01 2.54813819e-02-8.75567620e-06 1.36356779e-09-7.92830705e-14 2 -6.90967464e+04-8.29604642e+01 7.95200517e-01 7.16315455e-02-4.80094595e-05 3 1.63912603e-08-2.26880650e-12-6.18050980e+04 2.77213599e+01 4 c5h10oh-1o 11 thermc 5h 11o 2 0g 300.000 5000.000 1390.000 71 2.16540056e+01 2.29957214e-02-7.98204054e-06 1.25165544e-09-7.31285013e-14 2 -4.30098415e+04-8.51878890e+01 9.40195764e-01 6.90834542e-02-4.63916091e-05 3 1.55118040e-08-2.06467519e-12-3.55977508e+04 2.68556310e+01 4 c5h10oh-2oh 11 thermc 5h 12o 2 0g 300.000 5000.000 1395.000 71 2.00039189e+01 2.64637490e-02-9.06785264e-06 1.40932139e-09-8.18206199e-14 2 -6.57365390e+04-7.40946215e+01 9.58136774e-02 7.36753008e-02-5.28376561e-05 3 2.03158816e-08-3.27706869e-12-5.88186200e+04 3.26979805e+01 4 c5h10oh-2o 11 thermc 5h 11o 2 0g 300.000 5000.000 1391.000 71 2.04604522e+01 2.39319309e-02-8.28578606e-06 1.29690436e-09-7.56704638e-14 2 -3.97068843e+04-7.69001331e+01 3.66748525e-02 7.19223072e-02-5.21683508e-05 3 1.99403716e-08-3.17434534e-12-3.25783176e+04 3.27961748e+01 4 c5h10oh-3oh 11 thermc 5h 12o 2 0g 300.000 5000.000 1395.000 71 2.00039189e+01 2.64637490e-02-9.06785264e-06 1.40932139e-09-8.18206199e-14 2 -6.57365390e+04-7.40946215e+01 9.58136774e-02 7.36753008e-02-5.28376561e-05 3 2.03158816e-08-3.27706869e-12-5.88186200e+04 3.26979805e+01 4 c5h10oh-3o 11 thermc 5h 11o 2 0g 300.000 5000.000 1391.000 71 2.04604522e+01 2.39319309e-02-8.28578606e-06 1.29690436e-09-7.56704638e-14 2 -3.97068843e+04-7.69001331e+01 3.66748525e-02 7.19223072e-02-5.21683508e-05 3 1.99403716e-08-3.17434534e-12-3.25783176e+04 3.27961748e+01 4 c5h10oh-4oh 11 thermc 5h 12o 2 0g 300.000 5000.000 1395.000 71 2.00039189e+01 2.64637490e-02-9.06785264e-06 1.40932139e-09-8.18206199e-14 2 -6.57365390e+04-7.40946215e+01 9.58136774e-02 7.36753008e-02-5.28376561e-05 3 2.03158816e-08-3.27706869e-12-5.88186200e+04 3.26979805e+01 4 c5h10oh-4o 11 thermc 5h 11o 2 0g 300.000 5000.000 1391.000 71 2.04604522e+01 2.39319309e-02-8.28578606e-06 1.29690436e-09-7.56704638e-14 2 -3.97068843e+04-7.69001331e+01 3.66748525e-02 7.19223072e-02-5.21683508e-05 3 1.99403716e-08-3.17434534e-12-3.25783176e+04 3.27961748e+01 4 c5h10oh-5oh 11 thermc 5h 12o 2 0g 300.000 5000.000 1391.000 71 1.96987852e+01 2.64906530e-02-9.02929024e-06 1.39859711e-09-8.10144609e-14 2 -6.34845258e+04-7.21270952e+01 2.45663408e-01 7.09185074e-02-4.80276401e-05 3 1.71413766e-08-2.55418571e-12-5.65780354e+04 3.27909911e+01 4 c5h10oh-5o 11 thermc 5h 11o 2 0g 300.000 5000.000 1388.000 71 1.99558674e+01 2.42905617e-02-8.39491250e-06 1.31249042e-09-7.65216503e-14 2 -3.73891723e+04-7.38320366e+01 5.16197715e-01 6.77352907e-02-4.54198602e-05 3 1.57298950e-08-2.25453746e-12-3.03876280e+04 3.13598663e+01 4 c5h10oh-5o2h 11 thermc 5h 12o 3 0g 300.000 5000.000 1390.000 81 2.31792942e+01 2.61958872e-02-9.04548674e-06 1.41331412e-09-8.23619209e-14 2 -5.73997008e+04-8.78401155e+01 2.65272922e+00 7.16802592e-02-4.71829433e-05 3 1.58789597e-08-2.18806926e-12-4.99819073e+04 2.33466789e+01 4 c5h10oh-5o2 11 thermc 5h 11o 3 0g 300.000 5000.000 1386.000 81 2.12316772e+01 2.54004163e-02-8.79181297e-06 1.37579107e-09-8.02582593e-14 2 -3.97365796e+04-7.65474647e+01 3.56405283e+00 6.28624306e-02-3.86316008e-05 3 1.20951415e-08-1.56328164e-12-3.31208012e+04 1.98567130e+01 4 c5h9oh-5ooh-4 thermc 5h 11o 3 0g 300.000 5000.000 1374.000 81 2.30948511e+01 2.28165727e-02-7.70109488e-06 1.18645804e-09-6.85135959e-14 2 -3.38446596e+04-8.40910419e+01 3.54349170e+00 6.32909930e-02-3.69241965e-05 3 9.35957550e-09-6.55297054e-13-2.66264640e+04 2.26058577e+01 4 c5h9oh-5ooh-3 thermc 5h 11o 3 0g 300.000 5000.000 1374.000 81 2.30948511e+01 2.28165727e-02-7.70109488e-06 1.18645804e-09-6.85135959e-14 2 -3.38446596e+04-8.40910419e+01 3.54349170e+00 6.32909930e-02-3.69241965e-05 3 9.35957550e-09-6.55297054e-13-2.66264640e+04 2.26058577e+01 4 c5h9oh-5ooh-2 thermc 5h 11o 3 0g 300.000 5000.000 1374.000 81 2.30948511e+01 2.28165727e-02-7.70109488e-06 1.18645804e-09-6.85135959e-14 2 -3.38446596e+04-8.40910419e+01 3.54349170e+00 6.32909930e-02-3.69241965e-05 3 9.35957550e-09-6.55297054e-13-2.66264640e+04 2.26058577e+01 4 c5h9oh-5ooh-1 thermc 5h 11o 3 0g 300.000 5000.000 1389.000 81 2.42606162e+01 2.30525845e-02-8.03457533e-06 1.26330780e-09-7.39473809e-14 2 -3.64660315e+04-9.32889915e+01 2.36544355e+00 7.34815520e-02-5.25517067e-05 3 1.92621041e-08-2.89382624e-12-2.87676456e+04 2.45961984e+01 4 c5h10oh-4o2h 11 thermc 5h 12o 3 0g 300.000 5000.000 1394.000 81 2.35310388e+01 2.57989924e-02-8.88660144e-06 1.38620388e-09-8.06892959e-14 2 -5.91984578e+04-9.04223960e+01 1.77546391e+00 7.68095280e-02-5.50828141e-05 3 2.06638345e-08-3.20646569e-12-5.16288295e+04 2.64068764e+01 4 c5h10oh-4o2 11 thermc 5h 11o 3 0g 300.000 5000.000 1390.000 81 2.15774606e+01 2.50155411e-02-8.63848933e-06 1.34968677e-09-7.86494844e-14 2 -4.15327983e+04-7.90958409e+01 2.70120204e+00 6.79479039e-02-4.64857552e-05 3 1.68627160e-08-2.57978983e-12-3.47704451e+04 2.28459573e+01 4 c5h9oh-4ooh-5 thermc 5h 11o 3 0g 300.000 5000.000 1394.000 81 2.30578830e+01 2.36879613e-02-8.16597226e-06 1.27449048e-09-7.42152595e-14 2 -3.41035954e+04-8.49882042e+01 2.62548906e+00 7.19311045e-02-5.22521611e-05 3 1.98647663e-08-3.12152520e-12-2.70286115e+04 2.46155113e+01 4 c5h9oh-4ooh-3 thermc 5h 11o 3 0g 300.000 5000.000 1382.000 81 2.34827607e+01 2.23602631e-02-7.51657435e-06 1.15490110e-09-6.65667372e-14 2 -3.56574587e+04-8.68755833e+01 2.66443096e+00 6.84139072e-02-4.47862530e-05 3 1.40992634e-08-1.65995244e-12-2.82728197e+04 2.56768709e+01 4 c5h9oh-4ooh-2 thermc 5h 11o 3 0g 300.000 5000.000 1382.000 81 2.34827607e+01 2.23602631e-02-7.51657435e-06 1.15490110e-09-6.65667372e-14 2 -3.56574587e+04-8.68755833e+01 2.66443096e+00 6.84139072e-02-4.47862530e-05 3 1.40992634e-08-1.65995244e-12-2.82728197e+04 2.56768709e+01 4 c5h9oh-4ooh-1 thermc 5h 11o 3 0g 300.000 5000.000 1393.000 81 2.46066807e+01 2.26714906e-02-7.88343040e-06 1.23763348e-09-7.23672450e-14 2 -3.82649798e+04-9.58452159e+01 1.48247361e+00 7.86233062e-02-6.04614335e-05 3 2.40553703e-08-3.91498689e-12-3.04133501e+04 2.76855455e+01 4 c5h10oh-3o2h 11 thermc 5h 12o 3 0g 300.000 5000.000 1394.000 81 2.35310388e+01 2.57989924e-02-8.88660144e-06 1.38620388e-09-8.06892959e-14 2 -5.91984578e+04-9.04223960e+01 1.77546391e+00 7.68095280e-02-5.50828141e-05 3 2.06638345e-08-3.20646569e-12-5.16288295e+04 2.64068764e+01 4 c5h10oh-3o2 11 thermc 5h 11o 3 0g 300.000 5000.000 1390.000 81 2.15774606e+01 2.50155411e-02-8.63848933e-06 1.34968677e-09-7.86494844e-14 2 -4.15327983e+04-7.90958409e+01 2.70120204e+00 6.79479039e-02-4.64857552e-05 3 1.68627160e-08-2.57978983e-12-3.47704451e+04 2.28459573e+01 4 c5h9oh-3ooh-5 thermc 5h 11o 3 0g 300.000 5000.000 1394.000 81 2.30578830e+01 2.36879613e-02-8.16597226e-06 1.27449048e-09-7.42152595e-14 2 -3.41035954e+04-8.49882042e+01 2.62548906e+00 7.19311045e-02-5.22521611e-05 3 1.98647663e-08-3.12152520e-12-2.70286115e+04 2.46155113e+01 4 c5h9oh-3ooh-4 thermc 5h 11o 3 0g 300.000 5000.000 1382.000 81 2.34827607e+01 2.23602631e-02-7.51657435e-06 1.15490110e-09-6.65667372e-14 2 -3.56574587e+04-8.68755833e+01 2.66443096e+00 6.84139072e-02-4.47862530e-05 3 1.40992634e-08-1.65995244e-12-2.82728197e+04 2.56768709e+01 4 c5h9oh-3ooh-2 thermc 5h 11o 3 0g 300.000 5000.000 1382.000 81 2.34827607e+01 2.23602631e-02-7.51657435e-06 1.15490110e-09-6.65667372e-14 2 -3.56574587e+04-8.68755833e+01 2.66443096e+00 6.84139072e-02-4.47862530e-05 3 1.40992634e-08-1.65995244e-12-2.82728197e+04 2.56768709e+01 4 c5h9oh-3ooh-1 thermc 5h 11o 3 0g 300.000 5000.000 1393.000 81 2.46066807e+01 2.26714906e-02-7.88343040e-06 1.23763348e-09-7.23672450e-14 2 -3.82649798e+04-9.58452159e+01 1.48247361e+00 7.86233062e-02-6.04614335e-05 3 2.40553703e-08-3.91498689e-12-3.04133501e+04 2.76855455e+01 4 c5h10oh-2o2h 11 thermc 5h 12o 3 0g 300.000 5000.000 1394.000 81 2.35310388e+01 2.57989924e-02-8.88660144e-06 1.38620388e-09-8.06892959e-14 2 -5.91984578e+04-9.04223960e+01 1.77546391e+00 7.68095280e-02-5.50828141e-05 3 2.06638345e-08-3.20646569e-12-5.16288295e+04 2.64068764e+01 4 c5h10oh-2o2 11 thermc 5h 11o 3 0g 300.000 5000.000 1390.000 81 2.15774606e+01 2.50155411e-02-8.63848933e-06 1.34968677e-09-7.86494844e-14 2 -4.15327983e+04-7.90958409e+01 2.70120204e+00 6.79479039e-02-4.64857552e-05 3 1.68627160e-08-2.57978983e-12-3.47704451e+04 2.28459573e+01 4 c5h9oh-2ooh-5 thermc 5h 11o 3 0g 300.000 5000.000 1394.000 81 2.30578830e+01 2.36879613e-02-8.16597226e-06 1.27449048e-09-7.42152595e-14 2 -3.41035954e+04-8.49882042e+01 2.62548906e+00 7.19311045e-02-5.22521611e-05 3 1.98647663e-08-3.12152520e-12-2.70286115e+04 2.46155113e+01 4 c5h9oh-2ooh-4 thermc 5h 11o 3 0g 300.000 5000.000 1382.000 81 2.34827607e+01 2.23602631e-02-7.51657435e-06 1.15490110e-09-6.65667372e-14 2 -3.56574587e+04-8.68755833e+01 2.66443096e+00 6.84139072e-02-4.47862530e-05 3 1.40992634e-08-1.65995244e-12-2.82728197e+04 2.56768709e+01 4 c5h9oh-2ooh-3 thermc 5h 11o 3 0g 300.000 5000.000 1382.000 81 2.34827607e+01 2.23602631e-02-7.51657435e-06 1.15490110e-09-6.65667372e-14 2 -3.56574587e+04-8.68755833e+01 2.66443096e+00 6.84139072e-02-4.47862530e-05 3 1.40992634e-08-1.65995244e-12-2.82728197e+04 2.56768709e+01 4 c5h9oh-2ooh-1 thermc 5h 11o 3 0g 300.000 5000.000 1393.000 81 2.46066807e+01 2.26714906e-02-7.88343040e-06 1.23763348e-09-7.23672450e-14 2 -3.82649798e+04-9.58452159e+01 1.48247361e+00 7.86233062e-02-6.04614335e-05 3 2.40553703e-08-3.91498689e-12-3.04133501e+04 2.76855455e+01 4 c5h10oh-1o2h 11 thermc 5h 12o 3 0g 300.000 5000.000 1399.000 81 2.52773833e+01 2.42880550e-02-8.36116108e-06 1.30389525e-09-7.58897191e-14 2 -6.13348643e+04-9.97519828e+01 3.76062020e-01 8.55825046e-02-6.66465641e-05 3 2.67034993e-08-4.33651063e-12-5.30407111e+04 3.28060486e+01 4 c5h10oh-1o2 11 thermc 5h 11o 3 0g 300.000 5000.000 1396.000 81 2.32527361e+01 2.35149362e-02-8.10506318e-06 1.26489111e-09-7.36537344e-14 2 -4.36093150e+04-8.79457088e+01 1.42139503e+00 7.64209732e-02-5.78876577e-05 3 2.28811294e-08-3.71151840e-12-3.62060411e+04 2.86461408e+01 4 c5h9oh-1ooh-2 thermc 5h 11o 3 0g 300.000 5000.000 1395.000 81 2.53396894e+01 2.09400056e-02-7.06246133e-06 1.08783711e-09-6.28193403e-14 2 -3.79740055e+04-9.71762264e+01-5.47404755e-01 8.34605066e-02-6.40219198e-05 3 2.43058772e-08-3.63148083e-12-2.93632237e+04 4.08379202e+01 4 c5h9oh-1ooh-3 thermc 5h 11o 3 0g 300.000 5000.000 1395.000 81 2.53396894e+01 2.09400056e-02-7.06246133e-06 1.08783711e-09-6.28193403e-14 2 -3.79740055e+04-9.71762264e+01-5.47404755e-01 8.34605066e-02-6.40219198e-05 3 2.43058772e-08-3.63148083e-12-2.93632237e+04 4.08379202e+01 4 c5h9oh-1ooh-4 thermc 5h 11o 3 0g 300.000 5000.000 1395.000 81 2.53396894e+01 2.09400056e-02-7.06246133e-06 1.08783711e-09-6.28193403e-14 2 -3.79740055e+04-9.71762264e+01-5.47404755e-01 8.34605066e-02-6.40219198e-05 3 2.43058772e-08-3.63148083e-12-2.93632237e+04 4.08379202e+01 4 c5h9oh-1ooh-5 thermc 5h 11o 3 0g 300.000 5000.000 1396.000 81 2.55672733e+01 2.18039446e-02-7.57483507e-06 1.18866014e-09-6.94885080e-14 2 -3.67146639e+04-9.90980794e+01 1.28648180e+00 7.90921925e-02-5.88303821e-05 3 2.18565722e-08-3.23816023e-12-2.84233824e+04 3.09633323e+01 4 c5h9oh-1ooh-2ooh thermc 5h 12o 5 0g 300.000 5000.000 1404.000 91 3.05968793e+01 2.40132417e-02-8.26584327e-06 1.28898281e-09-7.50207014e-14 2 -7.54474556e+04-1.21158142e+02 2.45465005e+00 9.68694055e-02-8.14830067e-05 3 3.49894828e-08-6.01728315e-12-6.64522486e+04 2.73469886e+01 4 c5h9oh-1ooh-2o2 thermc 5h 11o 5 0g 300.000 5000.000 1400.000 91 2.86303066e+01 2.32317088e-02-8.01616025e-06 1.25197153e-09-7.29415409e-14 2 -5.77713687e+04-1.09745016e+02 3.45682525e+00 8.76757175e-02-7.24014952e-05 3 3.08846552e-08-5.32198779e-12-4.96056070e+04 2.34305819e+01 4 c5h9oh-1ooh-3o2 thermc 5h 11o 5 0g 300.000 5000.000 1400.000 91 2.86303066e+01 2.32317088e-02-8.01616025e-06 1.25197153e-09-7.29415409e-14 2 -5.77713687e+04-1.09745016e+02 3.45682525e+00 8.76757175e-02-7.24014952e-05 3 3.08846552e-08-5.32198779e-12-4.96056070e+04 2.34305819e+01 4 c5h9oh-1ooh-4o2 thermc 5h 11o 5 0g 300.000 5000.000 1400.000 91 2.86303066e+01 2.32317088e-02-8.01616025e-06 1.25197153e-09-7.29415409e-14 2 -5.77713687e+04-1.09745016e+02 3.45682525e+00 8.76757175e-02-7.24014952e-05 3 3.08846552e-08-5.32198779e-12-4.96056070e+04 2.34305819e+01 4 c5h9oh-2ooh-1o2 thermc 5h 11o 5 0g 300.000 5000.000 1400.000 91 2.86303066e+01 2.32317088e-02-8.01616025e-06 1.25197153e-09-7.29415409e-14 2 -5.77713687e+04-1.09745016e+02 3.45682525e+00 8.76757175e-02-7.24014952e-05 3 3.08846552e-08-5.32198779e-12-4.96056070e+04 2.34305819e+01 4 c5h9oh-3ooh-1o2 thermc 5h 11o 5 0g 300.000 5000.000 1400.000 91 2.86303066e+01 2.32317088e-02-8.01616025e-06 1.25197153e-09-7.29415409e-14 2 -5.77713687e+04-1.09745016e+02 3.45682525e+00 8.76757175e-02-7.24014952e-05 3 3.08846552e-08-5.32198779e-12-4.96056070e+04 2.34305819e+01 4 c5h9oh-4ooh-1o2 thermc 5h 11o 5 0g 300.000 5000.000 1400.000 91 2.86303066e+01 2.32317088e-02-8.01616025e-06 1.25197153e-09-7.29415409e-14 2 -5.77713687e+04-1.09745016e+02 3.45682525e+00 8.76757175e-02-7.24014952e-05 3 3.08846552e-08-5.32198779e-12-4.96056070e+04 2.34305819e+01 4 c5h9oh-2ooh-3ooh thermc 5h 12o 5 0g 300.000 5000.000 1393.000 91 2.83015092e+01 2.62732066e-02-9.11439024e-06 1.42864110e-09-8.34448345e-14 2 -7.34773671e+04-1.09498896e+02 2.83956665e+00 8.66138101e-02-6.42638171e-05 3 2.45925310e-08-3.85217893e-12-6.47138436e+04 2.69550714e+01 4 c5h9oh-2ooh-3o2 thermc 5h 11o 5 0g 300.000 5000.000 1394.000 91 2.73349548e+01 2.44651007e-02-8.47060225e-06 1.32588546e-09-7.73645554e-14 2 -5.58869883e+04-1.03178582e+02 4.64042278e+00 7.93649340e-02-6.02665813e-05 3 2.39844917e-08-3.93396197e-12-4.81533939e+04 1.81048792e+01 4 c5h9oh-2ooh-4o2 thermc 5h 11o 5 0g 300.000 5000.000 1394.000 91 2.73349548e+01 2.44651007e-02-8.47060225e-06 1.32588546e-09-7.73645554e-14 2 -5.58869883e+04-1.03178582e+02 4.64042278e+00 7.93649340e-02-6.02665813e-05 3 2.39844917e-08-3.93396197e-12-4.81533939e+04 1.81048792e+01 4 c5h9oh-3ooh-2o2 thermc 5h 11o 5 0g 300.000 5000.000 1394.000 91 2.73349548e+01 2.44651007e-02-8.47060225e-06 1.32588546e-09-7.73645554e-14 2 -5.58869883e+04-1.03178582e+02 4.64042278e+00 7.93649340e-02-6.02665813e-05 3 2.39844917e-08-3.93396197e-12-4.81533939e+04 1.81048792e+01 4 c5h9oh-3ooh-4o2 thermc 5h 11o 5 0g 300.000 5000.000 1394.000 91 2.73349548e+01 2.44651007e-02-8.47060225e-06 1.32588546e-09-7.73645554e-14 2 -5.58869883e+04-1.03178582e+02 4.64042278e+00 7.93649340e-02-6.02665813e-05 3 2.39844917e-08-3.93396197e-12-4.81533939e+04 1.81048792e+01 4 c5h9oh-4ooh-2o2 thermc 5h 11o 5 0g 300.000 5000.000 1394.000 91 2.73349548e+01 2.44651007e-02-8.47060225e-06 1.32588546e-09-7.73645554e-14 2 -5.58869883e+04-1.03178582e+02 4.64042278e+00 7.93649340e-02-6.02665813e-05 3 2.39844917e-08-3.93396197e-12-4.81533939e+04 1.81048792e+01 4 c5h9oh-4ooh-3o2 thermc 5h 11o 5 0g 300.000 5000.000 1394.000 91 2.73349548e+01 2.44651007e-02-8.47060225e-06 1.32588546e-09-7.73645554e-14 2 -5.58869883e+04-1.03178582e+02 4.64042278e+00 7.93649340e-02-6.02665813e-05 3 2.39844917e-08-3.93396197e-12-4.81533939e+04 1.81048792e+01 4 c5h9oh-4ooh-5ooh thermc 5h 12o 5 0g 300.000 5000.000 1389.000 91 2.78776278e+01 2.67155885e-02-9.28547793e-06 1.45729284e-09-8.51925204e-14 2 -7.16547096e+04-1.05821350e+02 3.59844448e+00 8.18004596e-02-5.68227490e-05 3 2.00973052e-08-2.89832508e-12-6.30421543e+04 2.51826494e+01 4 c5h9oh-4ooh-5o2 thermc 5h 11o 5 0g 300.000 5000.000 1391.000 91 2.69851750e+01 2.48570367e-02-8.62717937e-06 1.35258327e-09-7.90113695e-14 2 -5.40936091e+04-9.99284320e+01 5.42143961e+00 7.45757347e-02-5.28119611e-05 3 1.94514312e-08-2.96752811e-12-4.64894296e+04 1.61988245e+01 4 c5h9oh-3ooh-5o2 thermc 5h 11o 5 0g 300.000 5000.000 1391.000 91 2.69851750e+01 2.48570367e-02-8.62717937e-06 1.35258327e-09-7.90113695e-14 2 -5.40936091e+04-9.99284320e+01 5.42143961e+00 7.45757347e-02-5.28119611e-05 3 1.94514312e-08-2.96752811e-12-4.64894296e+04 1.61988245e+01 4 c5h9oh-2ooh-5o2 thermc 5h 11o 5 0g 300.000 5000.000 1391.000 91 2.69851750e+01 2.48570367e-02-8.62717937e-06 1.35258327e-09-7.90113695e-14 2 -5.40936091e+04-9.99284320e+01 5.42143961e+00 7.45757347e-02-5.28119611e-05 3 1.94514312e-08-2.96752811e-12-4.64894296e+04 1.61988245e+01 4 c5h9oh-5ooh-2o2 thermc 5h 11o 5 0g 300.000 5000.000 1391.000 91 2.69851750e+01 2.48570367e-02-8.62717937e-06 1.35258327e-09-7.90113695e-14 2 -5.40936091e+04-9.99284320e+01 5.42143961e+00 7.45757347e-02-5.28119611e-05 3 1.94514312e-08-2.96752811e-12-4.64894296e+04 1.61988245e+01 4 c5h9oh-5ooh-3o2 thermc 5h 11o 5 0g 300.000 5000.000 1391.000 91 2.69851750e+01 2.48570367e-02-8.62717937e-06 1.35258327e-09-7.90113695e-14 2 -5.40936091e+04-9.99284320e+01 5.42143961e+00 7.45757347e-02-5.28119611e-05 3 1.94514312e-08-2.96752811e-12-4.64894296e+04 1.61988245e+01 4 c5h9oh-5ooh-4o2 thermc 5h 11o 5 0g 300.000 5000.000 1391.000 91 2.69851750e+01 2.48570367e-02-8.62717937e-06 1.35258327e-09-7.90113695e-14 2 -5.40936091e+04-9.99284320e+01 5.42143961e+00 7.45757347e-02-5.28119611e-05 3 1.94514312e-08-2.96752811e-12-4.64894296e+04 1.61988245e+01 4 c5h9oh-1ooh-5ooh thermc 5h 12o 5 0g 300.000 5000.000 1401.000 91 3.02323777e+01 2.44339130e-02-8.43558563e-06 1.31804812e-09-7.68171977e-14 2 -7.36452086e+04-1.17818225e+02 3.32536395e+00 9.17673577e-02-7.36319093e-05 3 3.02444360e-08-5.00959988e-12-6.48042258e+04 2.50073211e+01 4 c5h9oh-1ooh-5o2 thermc 5h 11o 5 0g 300.000 5000.000 1397.000 91 2.82748865e+01 2.36359884e-02-8.17849971e-06 1.27971247e-09-7.46545017e-14 2 -5.59722012e+04-1.06455054e+02 4.32345528e+00 8.25839879e-02-6.45526379e-05 3 2.61315194e-08-4.31077323e-12-4.79567911e+04 2.11112703e+01 4 c5h9oh-5ooh-1o2 thermc 5h 11o 5 0g 300.000 5000.000 1397.000 91 2.82748865e+01 2.36359884e-02-8.17849971e-06 1.27971247e-09-7.46545017e-14 2 -5.59722012e+04-1.06455054e+02 4.32345528e+00 8.25839879e-02-6.45526379e-05 3 2.61315194e-08-4.31077323e-12-4.79567911e+04 2.11112703e+01 4 c5ohket1-2 11 thermc 5h 10o 4 0g 300.000 5000.000 1399.000 71 2.58546406e+01 2.17934822e-02-7.52691182e-06 1.17640135e-09-6.85762231e-14 2 -8.25121458e+04-1.05299044e+02-9.81641423e-02 8.97018758e-02-7.69416238e-05 3 3.38135197e-08-5.95710656e-12-7.42478236e+04 3.14669062e+01 4 c5ohket1-3 11 thermc 5h 10o 4 0g 300.000 5000.000 1393.000 71 2.46762043e+01 2.27166193e-02-7.82708865e-06 1.22126964e-09-7.11056206e-14 2 -8.31036546e+04-9.77883631e+01 2.33550835e+00 7.91166249e-02-6.38007459e-05 3 2.70210425e-08-4.67860609e-12-7.57234829e+04 2.07737611e+01 4 c5ohket1-4 11 thermc 5h 10o 4 0g 300.000 5000.000 1393.000 71 2.46762043e+01 2.27166193e-02-7.82708865e-06 1.22126964e-09-7.11056206e-14 2 -8.31036546e+04-9.77883631e+01 2.33550835e+00 7.91166249e-02-6.38007459e-05 3 2.70210425e-08-4.67860609e-12-7.57234829e+04 2.07737611e+01 4 c5ohket1-5 11 thermc 5h 10o 4 0g 300.000 5000.000 1390.000 71 2.43212414e+01 2.31213781e-02-7.98974425e-06 1.24907256e-09-7.28226090e-14 2 -8.13042688e+04-9.45000996e+01 3.21337063e+00 7.39873589e-02-5.59043768e-05 3 2.22422629e-08-3.66237773e-12-7.40767189e+04 1.83997491e+01 4 c5ohket2-1 11 thermc 5h 10o 4 0g 300.000 5000.000 1397.000 71 2.48070230e+01 2.25098456e-02-7.73414347e-06 1.20447427e-09-7.00340122e-14 2 -7.41836171e+04-9.28235698e+01 2.52472364e+00 7.89504428e-02-6.36871418e-05 3 2.68528674e-08-4.61074646e-12-6.68703459e+04 2.53127512e+01 4 c5ohket2-3 11 thermc 5h 10o 4 0g 300.000 5000.000 1395.000 71 2.57532516e+01 2.14032696e-02-7.29865982e-06 1.13191544e-09-6.56549058e-14 2 -7.07672756e+04-9.98181515e+01-4.87368907e+00 1.07435039e-01-1.01969867e-04 3 4.87713480e-08-9.17079235e-12-6.15670657e+04 5.95540665e+01 4 c5ohket2-4 11 thermc 5h 10o 4 0g 300.000 5000.000 1393.000 71 2.38551571e+01 2.35836502e-02-8.16252016e-06 1.27731823e-09-7.45154315e-14 2 -7.11243714e+04-8.83597100e+01-2.06740991e+00 9.55584533e-02-8.78077381e-05 3 4.20422735e-08-8.03658589e-12-6.31055017e+04 4.70773040e+01 4 c5ohket2-5 11 thermc 5h 10o 4 0g 300.000 5000.000 1385.000 71 2.32629213e+01 2.38338246e-02-8.19491674e-06 1.27692026e-09-7.42764686e-14 2 -7.05433609e+04-8.31686189e+01 4.68121449e+00 6.72239677e-02-4.80292084e-05 3 1.84820775e-08-3.01267864e-12-6.39792672e+04 1.68180223e+01 4 c5ohket3-1 11 thermc 5h 10o 4 0g 300.000 5000.000 1391.000 71 2.54040364e+01 2.13220358e-02-7.18760689e-06 1.10596704e-09-6.37962798e-14 2 -7.43944256e+04-9.57197841e+01 2.49561727e+00 8.09896491e-02-6.80713112e-05 3 2.97755952e-08-5.25877030e-12-6.70549235e+04 2.51315082e+01 4 c5ohket3-2 11 thermc 5h 10o 4 0g 300.000 5000.000 1394.000 71 2.47848306e+01 2.24993095e-02-7.72582183e-06 1.20282956e-09-6.99286974e-14 2 -7.17384048e+04-9.38859416e+01 1.23036792e+00 8.35870654e-02-7.00656360e-05 3 3.06675312e-08-5.43962584e-12-6.41299871e+04 3.05247928e+01 4 c5ohket3-4 11 thermc 5h 10o 4 0g 300.000 5000.000 1394.000 71 2.47848306e+01 2.24993095e-02-7.72582183e-06 1.20282956e-09-6.99286974e-14 2 -7.17384048e+04-9.38859416e+01 1.23036792e+00 8.35870654e-02-7.00656360e-05 3 3.06675312e-08-5.43962584e-12-6.41299871e+04 3.05247928e+01 4 c5ohket3-5 11 thermc 5h 10o 4 0g 300.000 5000.000 1385.000 71 2.32629213e+01 2.38338246e-02-8.19491674e-06 1.27692026e-09-7.42764686e-14 2 -7.05433609e+04-8.31686189e+01 4.68121449e+00 6.72239677e-02-4.80292084e-05 3 1.84820775e-08-3.01267864e-12-6.39792672e+04 1.68180223e+01 4 c5ohket4-1 11 thermc 5h 10o 4 0g 300.000 5000.000 1397.000 71 2.48070230e+01 2.25098456e-02-7.73414347e-06 1.20447427e-09-7.00340122e-14 2 -7.41232245e+04-9.28235698e+01 2.52472364e+00 7.89504428e-02-6.36871418e-05 3 2.68528674e-08-4.61074646e-12-6.68099533e+04 2.53127512e+01 4 c5ohket4-2 11 thermc 5h 10o 4 0g 300.000 5000.000 1390.000 71 2.36689082e+01 2.34437996e-02-8.05031679e-06 1.25329885e-09-7.28585389e-14 2 -7.22828954e+04-8.71061600e+01 3.44876980e+00 7.17017117e-02-5.29261990e-05 3 2.06270283e-08-3.33672847e-12-6.53166997e+04 2.12045530e+01 4 c5ohket4-3 11 thermc 5h 10o 4 0g 300.000 5000.000 1396.000 71 2.48022494e+01 2.26274585e-02-7.80117857e-06 1.21780150e-09-7.09292773e-14 2 -7.16826210e+04-9.43874932e+01 9.16760968e-01 8.27265979e-02-6.67383787e-05 3 2.78703871e-08-4.72223579e-12-6.38261714e+04 3.23529668e+01 4 c5ohket4-5 11 thermc 5h 10o 4 0g 300.000 5000.000 1395.000 71 2.44942092e+01 2.27293311e-02-7.80056656e-06 1.21394817e-09-7.05517390e-14 2 -6.92931098e+04-9.12109172e+01 1.32929829e+00 8.27260853e-02-6.89560161e-05 3 3.00914697e-08-5.32912698e-12-6.17997865e+04 3.11748904e+01 4 c5ohket5-1 11 thermc 5h 10o 4 0g 300.000 5000.000 1398.000 71 2.53341228e+01 2.17203711e-02-7.38943404e-06 1.14338039e-09-6.61896107e-14 2 -7.04361274e+04-9.49668129e+01 2.74944785e+00 7.97713093e-02-6.55115175e-05 3 2.78995736e-08-4.79997518e-12-6.31499298e+04 2.44033691e+01 4 c5ohket5-2 11 thermc 5h 10o 4 0g 300.000 5000.000 1391.000 71 2.41190404e+01 2.28078967e-02-7.77730783e-06 1.20528479e-09-6.98501642e-14 2 -6.85761990e+04-8.88376327e+01 3.83193129e+00 7.18735823e-02-5.38988108e-05 3 2.12448205e-08-3.45104752e-12-6.16817815e+04 1.95517404e+01 4 c5ohket5-3 11 thermc 5h 10o 4 0g 300.000 5000.000 1391.000 71 2.41190404e+01 2.28078967e-02-7.77730783e-06 1.20528479e-09-6.98501642e-14 2 -6.85761990e+04-8.88376327e+01 3.83193129e+00 7.18735823e-02-5.38988108e-05 3 2.12448205e-08-3.45104752e-12-6.16817815e+04 1.95517404e+01 4 c5ohket5-4 11 thermc 5h 10o 4 0g 300.000 5000.000 1397.000 71 2.53382077e+01 2.18230651e-02-7.45008636e-06 1.15561328e-09-6.70181329e-14 2 -6.79998452e+04-9.65793086e+01 1.26995374e+00 8.29830796e-02-6.77340716e-05 3 2.84134184e-08-4.80277091e-12-6.01857430e+04 3.08472968e+01 4 c5h9oho1-2 11 thermc 5h 10o 2 0g 300.000 5000.000 1403.000 41 2.08650918e+01 2.20357006e-02-7.57278747e-06 1.17969508e-09-6.86133066e-14 2 -4.90835047e+04-8.45834101e+01-2.15087247e+00 7.75227877e-02-5.85717653e-05 3 2.23966035e-08-3.43403346e-12-4.13481444e+04 3.82722997e+01 4 c5h9oho1-3 11 thermc 5h 10o 2 0g 300.000 5000.000 1402.000 31 1.93425218e+01 2.36492951e-02-8.10477617e-06 1.26004722e-09-7.31793288e-14 2 -4.95321032e+04-7.75390479e+01-3.48780246e+00 7.94731359e-02-6.06989262e-05 3 2.39179502e-08-3.82496470e-12-4.18959461e+04 4.41166922e+01 4 c5h9oho1-4 11 thermc 5h 10o 2 0g 300.000 5000.000 1405.000 21 1.87216573e+01 2.44815513e-02-8.36626473e-06 1.29826860e-09-7.53020586e-14 2 -5.95894791e+04-7.55471226e+01-5.45120305e+00 8.38215017e-02-6.42946459e-05 3 2.53019000e-08-4.01957769e-12-5.15552280e+04 5.31332268e+01 4 c5h9oho1-5 11 thermc 5h 10o 2 0g 300.000 5000.000 1397.000 11 1.87792328e+01 2.52510031e-02-8.71951941e-06 1.36261690e-09-7.94233655e-14 2 -5.98486874e+04-8.02952910e+01-5.28245732e+00 8.05420193e-02-5.65771489e-05 3 1.99013096e-08-2.79015119e-12-5.14625083e+04 4.91527811e+01 4 c5h9oho2-3 -11 thermc 5h 10o 2 0g 300.000 5000.000 1400.000 41 1.96683320e+01 2.29959552e-02-7.88871094e-06 1.22718427e-09-7.12974236e-14 2 -4.57632031e+04-7.69415110e+01-3.37887433e+00 8.21497827e-02-6.72653153e-05 3 2.87179758e-08-4.97160642e-12-3.82892132e+04 4.49527547e+01 4 c5h9oho2-4 11 thermc 5h 10o 2 0g 300.000 5000.000 1403.000 31 1.86169269e+01 2.41365820e-02-8.24316687e-06 1.27846337e-09-7.41198185e-14 2 -4.64077287e+04-7.26232926e+01-4.41956414e+00 8.25195544e-02-6.58597149e-05 3 2.74422689e-08-4.64682913e-12-3.88811093e+04 4.94468161e+01 4 c5h9oho2-5 11 thermc 5h 10o 2 0g 300.000 5000.000 1401.000 21 1.73931956e+01 2.56439963e-02-8.77320539e-06 1.36228320e-09-7.90454537e-14 2 -5.41557976e+04-6.64271171e+01-5.64786399e+00 8.15896361e-02-6.12001698e-05 3 2.38788410e-08-3.80464697e-12-4.63893101e+04 5.65250136e+01 4 c5h9oho3-4 -11 thermc 5h 10o 2 0g 300.000 5000.000 1400.000 41 1.96683320e+01 2.29959552e-02-7.88871094e-06 1.22718427e-09-7.12974236e-14 2 -4.57632031e+04-7.69415110e+01-3.37887433e+00 8.21497827e-02-6.72653153e-05 3 2.87179758e-08-4.97160642e-12-3.82892132e+04 4.49527547e+01 4 c5h9oho3-5 11 thermc 5h 10o 2 0g 300.000 5000.000 1400.000 31 1.79911177e+01 2.47228006e-02-8.45736881e-06 1.31313811e-09-7.61886847e-14 2 -4.40595455e+04-6.82172263e+01-3.79451349e+00 7.77280567e-02-5.83801264e-05 3 2.29250722e-08-3.68835465e-12-3.67128129e+04 4.80211952e+01 4 c5h9oho4-5 11 thermc 5h 10o 2 0g 300.000 5000.000 1400.000 41 1.87545106e+01 2.36552196e-02-8.08980826e-06 1.25579646e-09-7.28498477e-14 2 -4.32112690e+04-7.06631583e+01-2.01901820e+00 7.47197037e-02-5.68999739e-05 3 2.27711456e-08-3.73976629e-12-3.62455216e+04 4.00110293e+01 4 hoc3h6cho 11 thermc 4h 8o 2 0g 300.000 5000.000 1378.000 41 1.56325864e+01 1.81399652e-02-6.08673408e-06 9.33787620e-10-5.37564206e-14 2 -5.02862809e+04-5.16053787e+01 2.41341444e+00 4.67448080e-02-2.91453894e-05 3 9.18400903e-09-1.16330681e-12-4.54511317e+04 2.02274929e+01 4 hoc3h6co 11/19 thermc 4h 7o 2 0g 300.000 5000.000 1378.000 41 1.51456325e+01 1.61356548e-02-5.42219832e-06 8.32706763e-10-4.79734511e-14 2 -3.13005511e+04-4.73126081e+01 3.19984423e+00 4.19176176e-02-2.61129535e-05 3 8.18392104e-09-1.02637588e-12-2.69252223e+04 1.76234067e+01 4 !pentanal nc4h9cho 2/29/96 thermc 5h 10o 1 0g 300.000 5000.000 1381.000 41 1.67965163e+01 2.25684519e-02-7.67631588e-06 1.18769369e-09-6.87545554e-14 2 -3.56826080e+04-6.09063312e+01 1.59663472e+00 5.43541416e-02-3.21020651e-05 3 9.35773559e-09-1.06688932e-12-2.99841025e+04 2.21281498e+01 4 nc4h9co 2/29/96 thermc 5h 9o 1 0g 300.000 5000.000 1382.000 41 1.61782939e+01 2.07991920e-02-7.11787892e-06 1.10559975e-09-6.41697187e-14 2 -1.66537752e+04-5.58943579e+01 2.43530238e+00 4.93682376e-02-2.89883082e-05 3 8.42863812e-09-9.68287172e-13-1.14675541e+04 1.92695879e+01 4 c4h8cho-1 2/29/96 thermc 5h 9o 1 0g 300.000 5000.000 1382.000 41 1.62387385e+01 2.06785503e-02-7.06216576e-06 1.09553003e-09-6.35307382e-14 2 -1.05717872e+04-5.50446953e+01 2.41842832e+00 4.96272127e-02-2.94995966e-05 3 8.76068653e-09-1.04084476e-12-5.38055616e+03 2.04609422e+01 4 c4h8cho-2 2/29/96 thermc 5h 9o 1 0g 300.000 5000.000 2014.000 41 1.41407667e+01 2.28357886e-02-7.96904210e-06 1.26040379e-09-7.42466834e-14 2 -1.07960087e+04-4.22099585e+01 2.67005026e+00 4.58193092e-02-2.29410393e-05 3 4.53761436e-09-1.26593772e-13-6.67002712e+03 2.04249941e+01 4 c4h8cho-3 2/29/96 thermc 5h 9o 1 0g 300.000 5000.000 2014.000 41 1.41407667e+01 2.28357886e-02-7.96904210e-06 1.26040379e-09-7.42466834e-14 2 -1.07960087e+04-4.22099585e+01 2.67005026e+00 4.58193092e-02-2.29410393e-05 3 4.53761436e-09-1.26593772e-13-6.67002712e+03 2.04249941e+01 4 c4h8cho-4 2/29/96 thermc 5h 9o 1 0g 300.000 5000.000 1388.000 41 1.65969615e+01 2.07196999e-02-7.14969212e-06 1.11659188e-09-6.50492039e-14 2 -1.54539499e+04-6.03180192e+01 1.16494271e+00 5.43945461e-02-3.49000792e-05 3 1.14582711e-08-1.54697375e-12-9.80619729e+03 2.34897110e+01 4 ac3h5cho 2/29/96 thermc 4h 6o 1 0g 300.000 5000.000 1390.000 21 1.22811161e+01 1.50167397e-02-5.17605303e-06 8.07796972e-10-4.70379360e-14 2 -1.50985283e+04-3.72055710e+01 1.59653121e-01 4.25761347e-02-2.91900593e-05 3 1.04044255e-08-1.53682904e-12-1.07859656e+04 2.82087323e+01 4 ac3h5co 2/29/96 thermc 4h 5o 1 0g 300.000 5000.000 1389.000 21 1.18646590e+01 1.28852832e-02-4.45460888e-06 6.96613045e-10-4.06215490e-14 2 3.86344452e+03-3.32989999e+01 9.34300027e-01 3.77751824e-02-2.61384581e-05 3 9.34041036e-09-1.37598294e-12 7.74223639e+03 2.56636231e+01 4 c2h3chcho 2/29/96 thermc 4h 5o 1 0g 300.000 5000.000 1382.000 21 1.24074059e+01 1.27319711e-02-4.47199396e-06 7.06819922e-10-4.15245536e-14 2 1.71706585e+03-3.94039464e+01-8.77992983e-03 3.98630509e-02-2.66130850e-05 3 8.74644509e-09-1.14128759e-12 6.22475038e+03 2.79591664e+01 4 ! ! added for iso-pentanol ic5h11oh 8/24/12 thermc 5h 12o 1 0g 300.000 5000.000 1394.000 51 1.76659926e+01 2.64001578e-02-8.97091677e-06 1.38657980e-09-8.01947316e-14 2 -4.58703080e+04-6.69958017e+01-9.97731650e-01 6.89216907e-02-4.60606099e-05 3 1.61906169e-08-2.36803054e-12-3.92443688e+04 3.36827033e+01 4 ic5h10oh-1 8/24/12 thermc 5h 11o 1 0g 300.000 5000.000 1394.000 51 1.76264597e+01 2.39817014e-02-8.15640882e-06 1.26137771e-09-7.29792490e-14 2 -2.38094100e+04-6.51182426e+01 2.87733983e-01 6.50700888e-02-4.61663158e-05 3 1.76228098e-08-2.82635934e-12-1.77872581e+04 2.78924962e+01 4 ic5h10oh-2 8/24/12 thermc 5h 11o 1 0g 300.000 5000.000 1374.000 51 1.78146436e+01 2.31777549e-02-7.76038398e-06 1.18900766e-09-6.83934164e-14 2 -2.25247765e+04-6.48614694e+01 2.04135308e-01 5.88299650e-02-3.24898705e-05 3 7.50026128e-09-3.65893927e-13-1.59312048e+04 3.15479677e+01 4 ic5h10oh-3 8/24/12 thermc 5h 11o 1 0g 300.000 5000.000 1381.000 51 1.57053942e+01 2.55921700e-02-8.70811298e-06 1.34716260e-09-7.79628294e-14 2 -2.26082350e+04-5.22449991e+01 3.09642922e+00 4.68661615e-02-1.83869508e-05 3 8.20832987e-10 7.67460794e-13-1.73551008e+04 1.84684107e+01 4 ic5h10oh-4 8/24/12 thermc 5h 11o 1 0g 300.000 5000.000 1394.000 51 1.72306012e+01 2.42975217e-02-8.26186089e-06 1.27755536e-09-7.39123165e-14 2 -2.08013525e+04-6.18034685e+01-2.37764707e-01 6.44135904e-02-4.36552710e-05 3 1.56133960e-08-2.32736806e-12-1.46304196e+04 3.23161057e+01 4 ic5h11o 8/24/12 thermc 5h 11o 1 0g 300.000 5000.000 1390.000 51 1.79852494e+01 2.40897408e-02-8.28641852e-06 1.29144549e-09-7.51291843e-14 2 -1.97891737e+04-6.90290731e+01-7.69895465e-01 6.60085470e-02-4.38697957e-05 3 1.50115512e-08-2.11319317e-12-1.30499892e+04 3.24309009e+01 4 ic5h9oh1-1 8/24/12 thermc 5h 10o 1 0g 300.000 5000.000 1401.000 41 1.72230301e+01 2.22593435e-02-7.57391529e-06 1.17156666e-09-6.77917454e-14 2 -3.31186152e+04-6.50020716e+01-1.94022087e+00 7.14827733e-02-5.72564918e-05 3 2.43814756e-08-4.24851023e-12-2.68798428e+04 3.63828341e+01 4 ic5h8oh1-1at 8/12 thermc 5h 9o 1 0g 300.000 5000.000 1393.000 41 1.67672532e+01 2.06086206e-02-7.11869015e-06 1.11250640e-09-6.48415754e-14 2 -1.53486240e+04-6.39522848e+01-1.11234226e+00 6.31224446e-02-4.64447500e-05 3 1.79756870e-08-2.88371603e-12-9.17376920e+03 3.18748262e+01 4 ic5h9oh1-2 8/24/12 thermc 5h 10o 1 0g 300.000 5000.000 1382.000 41 1.62906360e+01 2.26111706e-02-7.60862894e-06 1.16878364e-09-6.73230628e-14 2 -3.12925740e+04-5.83407884e+01 1.95217604e+00 5.15669628e-02-2.81206525e-05 3 6.88583156e-09-5.03775487e-13-2.58548597e+04 2.02839752e+01 4 ic5h8oh1-2as 8/12 thermc 5h 9o 1 0g 300.000 5000.000 1383.000 41 1.59180368e+01 2.11347638e-02-7.25818977e-06 1.12999995e-09-6.56898004e-14 2 -1.32181594e+04-5.77239517e+01 1.85350911e+00 4.90242874e-02-2.65047132e-05 3 6.25239791e-09-4.05811177e-13-7.80904235e+03 1.96203541e+01 4 ic5h8oh1-2ap 8/12 thermc 5h 9o 1 0g 300.000 5000.000 1388.000 41 1.68114589e+01 2.02854240e-02-6.94602584e-06 1.07934034e-09-6.26638361e-14 2 -1.31591641e+04-6.14942682e+01 1.13701117e+00 5.56530559e-02-3.74474352e-05 3 1.31174507e-08-1.90654082e-12-7.55459090e+03 2.31917252e+01 4 ic5h9oh1-3 8/24/12 thermc 5h 10o 1 0g 300.000 5000.000 1393.000 41 1.63488533e+01 2.29460587e-02-7.79979088e-06 1.20578097e-09-6.97449029e-14 2 -3.04116929e+04-5.81279003e+01 7.59817425e-02 6.10696546e-02-4.25455535e-05 3 1.59129933e-08-2.50390578e-12-2.47164992e+04 2.93198771e+01 4 ic5h8oh1-3as 8/12 thermc 5h 9o 1 0g 300.000 5000.000 1390.000 41 1.63388710e+01 2.08243400e-02-7.16066809e-06 1.11570713e-09-6.48931358e-14 2 -1.24672958e+04-5.95133812e+01-4.07353474e-02 5.83943363e-02-4.03852081e-05 3 1.46724284e-08-2.22341467e-12-6.66310091e+03 2.87794520e+01 4 ic5h8oh1-3ap 8/12 thermc 5h 9o 1 0g 300.000 5000.000 1394.000 41 1.71336892e+01 2.01278732e-02-6.91497348e-06 1.07673176e-09-6.25966855e-14 2 -1.23661708e+04-6.27268558e+01-6.42612760e-01 6.45736002e-02-5.07426173e-05 3 2.12272879e-08-3.66379838e-12-6.42743118e+03 3.18033546e+01 4 ic5h8oh32 8/12 thermc 5h 9o 1 0g 300.000 5000.000 1394.000 41 1.71336892e+01 2.01278732e-02-6.91497348e-06 1.07673176e-09-6.25966855e-14 2 -1.23661708e+04-6.27268558e+01-6.42612760e-01 6.45736002e-02-5.07426173e-05 3 2.12272879e-08-3.66379838e-12-6.42743118e+03 3.18033546e+01 4 ic5h10oh-1oh 8/12 thermc 5h 12o 2 0g 300.000 5000.000 1399.000 61 2.10203234e+01 2.59143557e-02-8.85601103e-06 1.37410278e-09-7.96883740e-14 2 -7.01151306e+04-8.21421540e+01-1.03139223e-01 7.52575205e-02-5.29433883e-05 3 1.93193310e-08-2.88755346e-12-6.27876523e+04 3.12889861e+01 4 ic5h10oh-1o 8/12 thermc 5h 11o 2 0g 300.000 5000.000 1395.000 61 2.14526556e+01 2.33933950e-02-8.07503849e-06 1.26154161e-09-7.35158930e-14 2 -4.40621606e+04-8.47770398e+01 1.85892326e-01 7.20438868e-02-5.01452368e-05 3 1.76298294e-08-2.49389635e-12-3.66025848e+04 2.97553494e+01 4 ic5h10oh-2oh 8/12 thermc 5h 12o 2 0g 300.000 5000.000 1399.000 61 1.97993473e+01 2.67088861e-02-9.07472145e-06 1.40233853e-09-8.10892208e-14 2 -6.67401536e+04-7.42397927e+01-8.17714348e-01 7.76180898e-02-5.83774545e-05 3 2.35821635e-08-3.95522734e-12-5.98060148e+04 3.55922620e+01 4 ic5h10oh-2o 8/12 thermc 5h 11o 2 0g 300.000 5000.000 1395.000 61 2.01941561e+01 2.42743387e-02-8.33518651e-06 1.29742232e-09-7.54084312e-14 2 -4.06857252e+04-7.66938662e+01-6.71485526e-01 7.50085630e-02-5.65182441e-05 3 2.25270259e-08-3.71296003e-12-3.35981080e+04 3.47285708e+01 4 ic5h10oh-3oh 8/12 thermc 5h 12o 2 0g 300.000 5000.000 1395.000 61 2.02323206e+01 2.61058799e-02-8.81926621e-06 1.35787883e-09-7.83259725e-14 2 -6.80731187e+04-7.70997768e+01-6.84830287e-01 7.80537504e-02-5.93800651e-05 3 2.41947745e-08-4.07967993e-12-6.10802410e+04 3.42061463e+01 4 ic5h10oh-3o 8/12 thermc 5h 11o 2 0g 300.000 5000.000 1393.000 61 2.04297983e+01 2.40237943e-02-8.23859368e-06 1.28136308e-09-7.44360308e-14 2 -4.19511553e+04-7.84670571e+01-4.69696773e-01 7.52942404e-02-5.75654453e-05 3 2.33608299e-08-3.92156617e-12-3.48862153e+04 3.29947754e+01 4 ic5h10oh-4oh 8/12 thermc 5h 12o 2 0g 300.000 5000.000 1394.000 61 1.96408165e+01 2.64561579e-02-8.90960201e-06 1.36904709e-09-7.88650773e-14 2 -6.45417524e+04-7.30748186e+01-5.58786812e-01 7.42009389e-02-5.23819880e-05 3 1.95352732e-08-3.01554125e-12-5.75774527e+04 3.52202990e+01 4 ic5h10oh-4o 8/12 thermc 5h 11o 2 0g 300.000 5000.000 1391.000 61 1.98810840e+01 2.42828640e-02-8.28546431e-06 1.28451031e-09-7.44585634e-14 2 -3.84320741e+04-7.46730683e+01-3.92284127e-01 7.15669951e-02-5.06409706e-05 3 1.86716463e-08-2.83689244e-12-3.13738095e+04 3.42520625e+01 4 ic5h10oh-1ooh 8/12 thermc 5h 12o 3 0g 300.000 5000.000 1393.000 71 2.50227397e+01 2.51785626e-02-8.72348540e-06 1.36618886e-09-7.97488373e-14 2 -6.34834508e+04-1.01122324e+02 9.26277374e-01 8.22531593e-02-6.08179880e-05 3 2.31971769e-08-3.62050738e-12-5.51902585e+04 2.80185868e+01 4 ic5h10oh-1o2 8/12 thermc 5h 11o 3 0g 300.000 5000.000 1390.000 71 2.28732661e+01 2.44789717e-02-8.48558373e-06 1.32927933e-09-7.76046420e-14 2 -4.56888695e+04-8.85494894e+01 2.04146645e+00 7.29774937e-02-5.23314178e-05 3 1.97320675e-08-3.10181345e-12-3.83695928e+04 2.35038547e+01 4 ic5h9oh-1ooh-2 812 thermc 5h 11o 3 0g 300.000 5000.000 1387.000 71 2.42951265e+01 2.34420287e-02-8.16935645e-06 1.28453324e-09-7.51953221e-14 2 -3.98921956e+04-9.42734057e+01 2.46229886e+00 6.98190482e-02-4.36796202e-05 3 1.26434656e-08-1.28761184e-12-3.19006044e+04 2.45355947e+01 4 ic5h9oh-1ooh-3 812 thermc 5h 11o 3 0g 300.000 5000.000 1381.000 71 2.26389458e+01 2.48414763e-02-8.64770889e-06 1.35851883e-09-7.94685182e-14 2 -4.01284333e+04-8.40948830e+01 4.99574681e+00 5.92712279e-02-3.18501106e-05 3 7.27352083e-09-4.18321930e-13-3.32628242e+04 1.31684205e+01 4 ic5h9oh-1ooh-4 812 thermc 5h 11o 3 0g 300.000 5000.000 1392.000 71 2.50374247e+01 2.28099767e-02-7.95019808e-06 1.25014378e-09-7.31836572e-14 2 -3.86968352e+04-9.87531443e+01 1.40907965e+00 7.79767281e-02-5.71206541e-05 3 2.11894994e-08-3.18105897e-12-3.05127457e+04 2.81165142e+01 4 ic5h10oh-2ooh 8/12 thermc 5h 12o 3 0g 300.000 5000.000 1398.000 71 2.33176164e+01 2.60629793e-02-8.90230667e-06 1.38082998e-09-8.00604572e-14 2 -6.01987927e+04-9.05182778e+01 8.93902351e-01 8.06324774e-02-6.04641887e-05 3 2.38451466e-08-3.86831330e-12-5.26216680e+04 2.91484332e+01 4 ic5h10oh-2o2 8/12 thermc 5h 11o 3 0g 300.000 5000.000 1394.000 71 2.12842358e+01 2.54113283e-02-8.71279477e-06 1.35474774e-09-7.86778516e-14 2 -4.25044205e+04-7.87452632e+01 2.01892741e+00 7.09395811e-02-5.07345584e-05 3 1.94192365e-08-3.11806266e-12-3.57945834e+04 2.46548377e+01 4 ic5h9oh-2ooh-1 812 thermc 5h 11o 3 0g 300.000 5000.000 1398.000 71 2.33029366e+01 2.35687534e-02-8.05029886e-06 1.24864773e-09-7.23947102e-14 2 -3.81403846e+04-8.87600372e+01 2.24630122e+00 7.64600263e-02-6.00764863e-05 3 2.49428588e-08-4.24648605e-12-3.11739888e+04 2.30533949e+01 4 ic5h9oh-2ooh-3 812 thermc 5h 11o 3 0g 300.000 5000.000 1390.000 71 2.13445479e+01 2.52611500e-02-8.64052834e-06 1.34144909e-09-7.78253725e-14 2 -3.69290112e+04-7.56904241e+01 4.97659758e+00 5.86248059e-02-3.28720042e-05 3 8.52536421e-09-7.42972172e-13-3.07304829e+04 1.39883979e+01 4 ic5h9oh-2ooh-4 812 thermc 5h 11o 3 0g 300.000 5000.000 1398.000 71 2.28883542e+01 2.39401671e-02-8.18318983e-06 1.26992845e-09-7.36568426e-14 2 -3.51300526e+04-8.53542439e+01 1.67305129e+00 7.60373815e-02-5.79306787e-05 3 2.31830751e-08-3.80756266e-12-2.80105454e+04 2.76934952e+01 4 ic5h10oh-3ooh 8/12 thermc 5h 12o 3 0g 300.000 5000.000 1399.000 71 2.32863118e+01 2.59812243e-02-8.84888882e-06 1.36976603e-09-7.93027987e-14 2 -6.13041292e+04-9.15215030e+01 1.38407389e+00 8.08141365e-02-6.26232907e-05 3 2.57992433e-08-4.37434774e-12-5.40337104e+04 2.48562609e+01 4 ic5h10oh-3o2 8/12 thermc 5h 11o 3 0g 300.000 5000.000 1395.000 71 2.12565748e+01 2.53246404e-02-8.65731039e-06 1.34332655e-09-7.78980930e-14 2 -4.36124372e+04-7.97721395e+01 2.47447956e+00 7.12542678e-02-5.30746844e-05 3 2.14782115e-08-3.64613610e-12-3.72008141e+04 2.05274136e+01 4 ic5h9oh-3ooh-1 812 thermc 5h 11o 3 0g 300.000 5000.000 1399.000 71 2.32721234e+01 2.34860809e-02-7.99646063e-06 1.23750787e-09-7.16322314e-14 2 -3.92458680e+04-8.97659323e+01 2.73586754e+00 7.66440591e-02-6.22384667e-05 3 2.68982059e-08-4.75269357e-12-3.25859332e+04 1.87640805e+01 4 ic5h9oh-3ooh-2 812 thermc 5h 11o 3 0g 300.000 5000.000 1388.000 71 2.38889241e+01 2.23054731e-02-7.46941080e-06 1.14470660e-09-6.58618514e-14 2 -3.81932712e+04-9.21172563e+01 1.81109378e+00 7.33189382e-02-5.15035416e-05 3 1.79722374e-08-2.46175753e-12-3.05849429e+04 2.64636249e+01 4 ic5h9oh-3ooh-4 812 thermc 5h 11o 3 0g 300.000 5000.000 1399.000 71 2.28581073e+01 2.38565002e-02-8.12890229e-06 1.25870796e-09-7.28892621e-14 2 -3.62357035e+04-8.63632131e+01 2.16257972e+00 7.62213609e-02-6.00917870e-05 3 2.51372658e-08-4.31339815e-12-2.94224817e+04 2.34043833e+01 4 ic5h10oh-4ooh 8/12 thermc 5h 12o 3 0g 300.000 5000.000 1395.000 71 2.29563234e+01 2.64776592e-02-9.06923239e-06 1.40937564e-09-8.18234063e-14 2 -5.83968852e+04-8.78789834e+01 1.76378684e+00 7.55411075e-02-5.26303110e-05 3 1.91090062e-08-2.86212429e-12-5.09737373e+04 2.61265484e+01 4 ic5h10oh-4o2 8/12 thermc 5h 11o 3 0g 300.000 5000.000 1390.000 71 2.09311193e+01 2.58125644e-02-8.87383992e-06 1.38226097e-09-8.03765083e-14 2 -4.07056044e+04-7.61515286e+01 2.89170310e+00 6.58316704e-02-4.28679229e-05 3 1.46570035e-08-2.10511068e-12-3.41470205e+04 2.16201730e+01 4 ic5h9oh-4ooh-1 812 thermc 5h 11o 3 0g 300.000 5000.000 1395.000 71 2.29422100e+01 2.39825602e-02-8.21685438e-06 1.27712976e-09-7.41537587e-14 2 -3.63387147e+04-8.61239367e+01 3.11714546e+00 7.13641258e-02-5.22353303e-05 3 2.02018905e-08-3.23918365e-12-2.95261981e+04 2.00271097e+01 4 ic5h9oh-4ooh-2 812 thermc 5h 11o 3 0g 300.000 5000.000 1380.000 71 2.29723533e+01 2.30366475e-02-7.71154566e-06 1.18147984e-09-6.79624947e-14 2 -3.49052726e+04-8.47531774e+01 2.75419521e+00 6.66225847e-02-4.14002404e-05 3 1.19392262e-08-1.18354877e-12-2.76318447e+04 2.49380687e+01 4 ic5h9oh-4ooh-3 812 thermc 5h 11o 3 0g 300.000 5000.000 1384.000 71 2.09845768e+01 2.56741189e-02-8.80677968e-06 1.36988424e-09-7.95817816e-14 2 -3.51277448e+04-7.30586684e+01 5.85467363e+00 5.34969193e-02-2.49826518e-05 3 3.75449004e-09 2.70891788e-13-2.90837965e+04 1.09285545e+01 4 ic5h9oh-4ooh-4 812 thermc 5h 11o 3 0g 300.000 5000.000 1395.000 71 2.25276687e+01 2.43538043e-02-8.34965317e-06 1.29839230e-09-7.54146701e-14 2 -3.33283563e+04-8.27233356e+01 2.54271289e+00 7.09467592e-02-5.00973150e-05 3 1.84467733e-08-2.80124933e-12-2.63625766e+04 2.46676488e+01 4 ic5h9oh-1ooh-2ooh thermc 5h 12o 5 0g 300.000 5000.000 1397.000 91 3.02986639e+01 2.49876027e-02-8.66765561e-06 1.35855594e-09-7.93493163e-14 2 -7.76150929e+04-1.22356400e+02 2.97141323e+00 9.32500957e-02-7.49884397e-05 3 3.10388058e-08-5.20528091e-12-6.85839853e+04 2.28107116e+01 4 ic5h9oh-1ooh-2o2 thermc 5h 11o 5 0g 300.000 5000.000 1394.000 91 2.83656475e+01 2.41377166e-02-8.38603277e-06 1.31572379e-09-7.68985295e-14 2 -5.99452928e+04-1.11117193e+02 3.98009795e+00 8.40267294e-02-6.58206147e-05 3 2.68378440e-08-4.47995038e-12-5.17385522e+04 1.88630185e+01 4 ic5h9oh-1ooh-3ooh thermc 5h 12o 5 0g 300.000 5000.000 1398.000 91 3.02808932e+01 2.48799053e-02-8.60219266e-06 1.34529747e-09-7.84514155e-14 2 -7.87241127e+04-1.23432653e+02 3.42954079e+00 9.35663769e-02-7.73301943e-05 3 3.30905078e-08-5.72976127e-12-6.99910277e+04 1.86682680e+01 4 ic5h9oh-1ooh-3o2 thermc 5h 11o 5 0g 300.000 5000.000 1395.000 91 2.83444932e+01 2.40365666e-02-8.32358279e-06 1.30300964e-09-7.60351767e-14 2 -6.10532333e+04-1.12174981e+02 4.44107254e+00 8.43345510e-02-6.81557682e-05 3 2.88897529e-08-5.00528191e-12-5.31461258e+04 1.47065823e+01 4 ic5h9oh-1ooh-4ooh thermc 5h 12o 5 0g 300.000 5000.000 1394.000 91 2.99523361e+01 2.53733849e-02-8.82133948e-06 1.38471739e-09-8.09613303e-14 2 -7.58170838e+04-1.19796823e+02 3.84678182e+00 8.81281207e-02-6.70888765e-05 3 2.62446081e-08-4.18285981e-12-6.69368026e+04 1.97642669e+01 4 ic5h9oh-1ooh-4o2 thermc 5h 11o 5 0g 300.000 5000.000 1391.000 91 2.80253253e+01 2.45123688e-02-8.53462806e-06 1.34096747e-09-7.84523151e-14 2 -5.81488798e+04-1.08589722e+02 4.85604849e+00 7.89019070e-02-5.79108421e-05 3 2.20315778e-08-3.45372524e-12-5.00914846e+04 1.58137524e+01 4 ic5h9oh-2ooh-1o2 thermc 5h 11o 5 0g 300.000 5000.000 1394.000 91 2.83656475e+01 2.41377166e-02-8.38603277e-06 1.31572379e-09-7.68985295e-14 2 -5.99452928e+04-1.11117193e+02 3.98009795e+00 8.40267294e-02-6.58206147e-05 3 2.68378440e-08-4.47995038e-12-5.17385522e+04 1.88630185e+01 4 ic5h9oh-2ooh-3ooh thermc 5h 12o 5 0g 300.000 5000.000 1398.000 91 2.83756474e+01 2.62544835e-02-9.02217722e-06 1.40518992e-09-8.17088858e-14 2 -7.56701790e+04-1.12360009e+02 2.69181471e+00 9.07205051e-02-7.21656228e-05 3 2.99584047e-08-5.06816586e-12-6.71931431e+04 2.39999862e+01 4 ic5h9oh-2ooh-3o2 thermc 5h 11o 5 0g 300.000 5000.000 1394.000 91 2.61693611e+01 2.57014847e-02-8.85689158e-06 1.38193566e-09-8.04544614e-14 2 -5.79565214e+04-9.96904295e+01 3.49349086e+00 8.12920119e-02-6.23367129e-05 3 2.53315805e-08-4.25665460e-12-5.02819128e+04 2.12671120e+01 4 ic5h9oh-2ooh-4ooh thermc 5h 12o 5 0g 300.000 5000.000 1398.000 91 2.92729517e+01 2.56011422e-02-8.82295324e-06 1.37698128e-09-8.01885066e-14 2 -7.30553388e+04-1.15373663e+02 3.40722035e+00 8.78569133e-02-6.63210193e-05 3 2.55971923e-08-3.99913209e-12-6.43080916e+04 2.28039398e+01 4 ic5h9oh-2ooh-4o2 thermc 5h 11o 5 0g 300.000 5000.000 1390.000 91 2.58845592e+01 2.61151092e-02-9.03875069e-06 1.41449719e-09-8.25222954e-14 2 -5.50208255e+04-9.62071206e+01 3.91413178e+00 7.65170930e-02-5.35251760e-05 3 1.94861484e-08-2.94077918e-12-4.72474207e+04 2.22011325e+01 4 ic5h9oh-3ooh-1o2 thermc 5h 11o 5 0g 300.000 5000.000 1395.000 91 2.83444932e+01 2.40365666e-02-8.32358279e-06 1.30300964e-09-7.60351767e-14 2 -6.10532333e+04-1.12174981e+02 4.44107254e+00 8.43345510e-02-6.81557682e-05 3 2.88897529e-08-5.00528191e-12-5.31461258e+04 1.47065823e+01 4 ic5h9oh-3ooh-2o2 thermc 5h 11o 5 0g 300.000 5000.000 1394.000 91 2.61693611e+01 2.57014847e-02-8.85689158e-06 1.38193566e-09-8.04544614e-14 2 -5.79565214e+04-9.96904295e+01 3.49349086e+00 8.12920119e-02-6.23367129e-05 3 2.53315805e-08-4.25665460e-12-5.02819128e+04 2.12671120e+01 4 ic5h9oh-3ooh-4ooh thermc 5h 12o 5 0g 300.000 5000.000 1396.000 91 2.79966164e+01 2.66661204e-02-9.18410323e-06 1.43254786e-09-8.33863172e-14 2 -7.38556156e+04-1.08916337e+02 3.50581619e+00 8.58864805e-02-6.47633427e-05 3 2.54997864e-08-4.12322403e-12-6.55366954e+04 2.19261067e+01 4 ic5h9oh-3ooh-4o2 thermc 5h 11o 5 0g 300.000 5000.000 1391.000 91 2.57546214e+01 2.61421178e-02-9.02867587e-06 1.41082913e-09-8.22215301e-14 2 -5.61390728e+04-9.60646535e+01 4.25116949e+00 7.64819161e-02-5.48757440e-05 3 2.08148187e-08-3.29690820e-12-4.86101466e+04 1.95048789e+01 4 ic5h9oh-4ooh-1o2 thermc 5h 11o 5 0g 300.000 5000.000 1391.000 91 2.80253253e+01 2.45123688e-02-8.53462806e-06 1.34096747e-09-7.84523151e-14 2 -5.81488798e+04-1.08589722e+02 4.85604849e+00 7.89019070e-02-5.79108421e-05 3 2.20315778e-08-3.45372524e-12-5.00914846e+04 1.58137524e+01 4 ic5h9oh-4ooh-2o2 thermc 5h 11o 5 0g 300.000 5000.000 1390.000 91 2.58845592e+01 2.61151092e-02-9.03875069e-06 1.41449719e-09-8.25222954e-14 2 -5.50208255e+04-9.62071206e+01 3.91413178e+00 7.65170930e-02-5.35251760e-05 3 1.94861484e-08-2.94077918e-12-4.72474207e+04 2.22011325e+01 4 ic5h9oh-4ooh-3o2 thermc 5h 11o 5 0g 300.000 5000.000 1391.000 91 2.57546214e+01 2.61421178e-02-9.02867587e-06 1.41082913e-09-8.22215301e-14 2 -5.61390728e+04-9.60646535e+01 4.25116949e+00 7.64819161e-02-5.48757440e-05 3 2.08148187e-08-3.29690820e-12-4.86101466e+04 1.95048789e+01 4 ic5h9oh-4ooh-4ooh thermc 5h 12o 5 0g 300.000 5000.000 1480.000 91 1.99255241e+01 2.90568967e-02-9.06087324e-06 1.31754001e-09-7.29026675e-14 2 -6.30456646e+04-6.41785547e+01 4.04255883e+00 6.92913418e-02-4.73365953e-05 3 1.74580674e-08-2.60510520e-12-5.80068196e+04 1.97323380e+01 4 ic5h9oh-4ooh-4o2 thermc 5h 11o 5 0g 300.000 5000.000 1480.000 91 1.77424361e+01 2.80130652e-02-8.62249944e-06 1.24087827e-09-6.81029599e-14 2 -4.50489842e+04-5.09853585e+01 5.23118297e+00 6.13417503e-02-4.21884001e-05 3 1.63047839e-08-2.59559827e-12-4.12418224e+04 1.45327954e+01 4 ic5h9oho1-2 8/12 thermc 5h 10o 2 0g 300.000 5000.000 1402.000 41 2.10877622e+01 2.19482822e-02-7.56522229e-06 1.18087476e-09-6.87777786e-14 2 -5.03655828e+04-8.60066587e+01-3.27906957e+00 8.19138383e-02-6.41986268e-05 3 2.55280366e-08-4.07580223e-12-4.22904410e+04 4.36399822e+01 4 ic5h9oho1-3 8/12 thermc 5h 10o 2 0g 300.000 5000.000 1403.000 31 1.95804740e+01 2.34052141e-02-8.01117448e-06 1.24444745e-09-7.22306724e-14 2 -5.19159920e+04-7.99866241e+01-3.73748717e+00 8.16777858e-02-6.43725823e-05 3 2.62276186e-08-4.32851268e-12-4.42416393e+04 4.38230322e+01 4 ic5h9oho1-4 8/12 thermc 5h 10o 2 0g 300.000 5000.000 1404.000 21 1.82857801e+01 2.48755749e-02-8.50769710e-06 1.32093911e-09-7.66467439e-14 2 -5.84471127e+04-7.29090806e+01-5.44970106e+00 8.16916537e-02-6.03252578e-05 3 2.27026773e-08-3.43942674e-12-5.04192496e+04 5.39472983e+01 4 ic5h9oho2-3 8/12 thermc 5h 10o 2 0g 300.000 5000.000 1401.000 41 1.96581729e+01 2.29044588e-02-7.83442533e-06 1.21629808e-09-7.05644778e-14 2 -4.80008014e+04-7.78426603e+01-2.89566516e+00 8.15571210e-02-6.76130691e-05 3 2.93204703e-08-5.14982799e-12-4.07552510e+04 4.11839933e+01 4 ic5h9oho2-4 8/12 thermc 5h 10o 2 0g 300.000 5000.000 1402.000 31 1.81939435e+01 2.45297435e-02-8.38657533e-06 1.30168245e-09-7.55062676e-14 2 -4.52807532e+04-7.00835626e+01-4.51768267e+00 8.06916480e-02-6.22038808e-05 3 2.49883235e-08-4.09219403e-12-3.77263542e+04 5.07511647e+01 4 ic5h9oho3-4 8/12 thermc 5h 10o 2 0g 300.000 5000.000 1399.000 41 1.92159107e+01 2.31438689e-02-7.88905386e-06 1.22208458e-09-7.07958358e-14 2 -4.57051396e+04-7.44251145e+01-2.57517333e+00 7.80065756e-02-6.17343551e-05 3 2.55878619e-08-4.32387223e-12-3.85386511e+04 4.11931524e+01 4 ic5h9oho4-4 8/12 thermc 5h 10o 2 0g 300.000 5000.000 1397.000 31 1.80163565e+01 2.43096516e-02-8.23557575e-06 1.27083392e-09-7.34322325e-14 2 -4.30726520e+04-6.88138865e+01-4.32463686e+00 7.76086152e-02-5.67417506e-05 3 2.12874541e-08-3.23086816e-12-3.54889348e+04 5.06707221e+01 4 ic5ohket1-2 824/12 thermc 5h 10o 4 0g 300.000 5000.000 1400.000 71 2.60755358e+01 2.15653238e-02-7.43979504e-06 1.16197112e-09-6.77037347e-14 2 -8.37394427e+04-1.07960589e+02-9.06507477e-01 9.30036712e-02-8.12202346e-05 3 3.61264040e-08-6.40996566e-12-7.52474539e+04 3.39049221e+01 4 ic5ohket1-3 824/12 thermc 5h 10o 4 0g 300.000 5000.000 1396.000 71 2.48718984e+01 2.23974436e-02-7.68253757e-06 1.19506930e-09-6.94313471e-14 2 -8.54377010e+04-1.01485180e+02 2.02894664e+00 8.25679258e-02-7.02026760e-05 3 3.12692913e-08-5.63385499e-12-7.81374688e+04 1.88616097e+01 4 ic5ohket1-4 824/12 thermc 5h 10o 4 0g 300.000 5000.000 1391.000 71 2.45597379e+01 2.28598757e-02-7.88727849e-06 1.23186341e-09-7.17733657e-14 2 -8.25361651e+04-9.79397584e+01 2.40846663e+00 7.72780401e-02-6.01573033e-05 3 2.45267440e-08-4.10641711e-12-7.50770556e+04 2.01361258e+01 4 ic5ohket2-1 824/12 thermc 5h 10o 4 0g 300.000 5000.000 1390.000 71 2.60558408e+01 2.21226972e-02-7.75386426e-06 1.22385406e-09-7.18327355e-14 2 -7.69990370e+04-1.03397538e+02 1.11552159e+00 8.06245369e-02-6.01275158e-05 3 2.25441713e-08-3.40546870e-12-6.84001422e+04 3.04000750e+01 4 ic5ohket2-3 824/12 thermc 5h 10o 4 0g 300.000 5000.000 1395.000 71 2.59601056e+01 2.14233835e-02-7.34454529e-06 1.14280718e-09-6.64301817e-14 2 -7.32410701e+04-1.03279410e+02-4.42014091e+00 1.05912290e-01-9.93739258e-05 3 4.70306080e-08-8.77046563e-12-6.40397994e+04 5.50936546e+01 4 ic5ohket2-4 824/12 thermc 5h 10o 4 0g 300.000 5000.000 1393.000 71 2.43384895e+01 2.29250401e-02-7.88685132e-06 1.22974270e-09-7.15770602e-14 2 -7.06557264e+04-9.20677399e+01-3.71654014e+00 9.87884282e-02-8.87447867e-05 3 4.09838800e-08-7.55533310e-12-6.18967043e+04 5.50269469e+01 4 ic5ohket4-1 824/12 thermc 5h 10o 4 0g 300.000 5000.000 1392.000 71 2.65455540e+01 2.16647048e-02-7.58663631e-06 1.19679369e-09-7.02185458e-14 2 -7.32964805e+04-1.05483515e+02 1.44963810e+00 8.08403470e-02-6.07571288e-05 3 2.28660780e-08-3.45196714e-12-6.46946393e+04 2.90058680e+01 4 ic5ohket4-2 824/12 thermc 5h 10o 4 0g 300.000 5000.000 1399.000 71 2.41671480e+01 2.30357774e-02-7.91201902e-06 1.23189743e-09-7.16178065e-14 2 -6.96422759e+04-9.07717133e+01 2.09051128e+00 7.71281020e-02-5.92331258e-05 3 2.36078672e-08-3.83619864e-12-6.22442740e+04 2.68708461e+01 4 ic5ohket4-3 824/12 thermc 5h 10o 4 0g 300.000 5000.000 1400.000 71 2.55243474e+01 2.19202013e-02-7.53723185e-06 1.17458426e-09-6.83332561e-14 2 -7.04761041e+04-9.92498832e+01 2.06341892e+00 7.99922668e-02-6.29839711e-05 3 2.53884324e-08-4.13093531e-12-6.27111942e+04 2.54974564e+01 4 ic5ohket4-4 824/12 thermc 5h 10o 4 0g 300.000 5000.000 1395.000 71 2.38152133e+01 2.34432695e-02-8.07673176e-06 1.26013295e-09-7.33643557e-14 2 -6.78457751e+04-8.81948123e+01 2.95672899e+00 7.20387885e-02-5.13766269e-05 3 1.88475974e-08-2.82336366e-12-6.05954967e+04 2.38634020e+01 4 ic4h9cho 8/24/12 thermc 5h 10o 1 0g 300.000 5000.000 1383.000 41 1.70194059e+01 2.23541546e-02-7.59760895e-06 1.17496754e-09-6.79975164e-14 2 -3.69143302e+04-6.35871575e+01 8.61033163e-01 5.73441683e-02-3.59178644e-05 3 1.13951893e-08-1.46205706e-12-3.09951354e+04 2.42264151e+01 4 ic4h9co 8/24/12 thermc 5h 9o 1 0g 300.000 5000.000 1381.000 41 1.66912451e+01 2.00750158e-02-6.81146431e-06 1.05242707e-09-6.08743184e-14 2 -1.79850312e+04-6.01715526e+01 1.62335066e+00 5.25605407e-02-3.28103015e-05 3 1.02340893e-08-1.26866743e-12-1.24643454e+04 2.17446946e+01 4 ic4h8cho-1 8/24/12 thermc 5h 9o 1 0g 300.000 5000.000 1382.000 41 1.64952419e+01 2.06785496e-02-7.10753548e-06 1.10711698e-09-6.43808772e-14 2 -1.73962524e+04-6.02720571e+01 3.31696477e+00 4.84807682e-02-2.93815999e-05 3 9.31158297e-09-1.25914151e-12-1.24138199e+04 1.17430275e+01 4 ic4h8cho-2 8/24/12 thermc 5h 9o 1 0g 300.000 5000.000 2007.000 41 1.28694305e+01 2.43877237e-02-8.60077074e-06 1.36840737e-09-8.08920178e-14 2 -1.23981895e+04-3.58915782e+01 4.51456221e+00 3.77870194e-02-1.29518975e-05 3 -4.00055644e-10 7.37921847e-13-9.05056836e+03 1.09572830e+01 4 ic4h8cho-3 8/24/12 thermc 5h 9o 1 0g 300.000 5000.000 1379.000 41 1.68308524e+01 1.98251371e-02-6.70063133e-06 1.03289145e-09-5.96563130e-14 2 -1.19347938e+04-5.97602900e+01 1.62226272e+00 5.27363584e-02-3.31656280e-05 3 1.04384787e-08-1.30786935e-12-6.37949935e+03 2.28700619e+01 4 ic5ketda 7/27/98 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.21407776e+01 2.27007313e-02-7.81265891e-06 1.21818045e-09-7.08948396e-14 2 -4.89796375e+04-8.26879634e+01 3.49825603e+00 6.45731036e-02-4.35635876e-05 3 1.50971326e-08-2.14893511e-12-4.23089029e+04 1.80784657e+01 4 ! [_ SMILES="CC(C)(CC=O)OO" _] ! [_ INCHI="InChI=1/C5H10O3/c1-5(2,8-7)3-4-6/h4,7H,3H2,1-2H3" _] ic5ketdb 7/27/98 thermc 5h 10o 3 0g 300.000 5000.000 1393.000 61 2.24631997e+01 2.22167618e-02-7.59782055e-06 1.17954544e-09-6.84353254e-14 2 -5.16376345e+04-8.67771138e+01 3.09689898e+00 6.99456313e-02-5.37151027e-05 3 2.18922835e-08-3.68543985e-12-4.51190375e+04 1.64198265e+01 4 ! [_ SMILES="CC(C)C(OO)C=O" _] ! [_ INCHI="InChI=1/C5H10O3/c1-4(2)5(3-6)8-7/h3-5,7H,1-2H3" _] ic5ketdc 7/27/98 thermc 5h 10o 3 0g 300.000 5000.000 1390.000 61 2.35511020e+01 2.20370496e-02-7.70229869e-06 1.21333612e-09-7.11148382e-14 2 -5.11090402e+04-9.29911716e+01 4.19611403e-02 7.96221577e-02-6.28755971e-05 3 2.57640021e-08-4.32179573e-12-4.31706563e+04 3.23917806e+01 4 cc5h10 2/14/95 c 5h 10 0 0g 300.000 5000.000 1393.000 31 1.46491909e+01 2.25422061e-02-7.72053001e-06 1.19958604e-09-6.96317745e-14 2 -1.11652332e+04-5.42252285e+01-1.83685605e+00 6.07709466e-02-4.21592576e-05 3 1.56103972e-08-2.43142766e-12-5.34864282e+03 3.45203543e+01 4 ic5h9 2/14/95 c 5h 9 0 0g 300.000 5000.000 1385.000 31 1.45682106e+01 2.05021258e-02-7.11493758e-06 1.11535314e-09-6.51460929e-14 2 5.04089704e+03-5.46330888e+01-3.17594304e-01 5.22454910e-02-3.25968130e-05 3 1.03628050e-08-1.36066533e-12 1.05922826e+04 2.65205225e+01 4 dc5h11 7/29/99 thermc 5h 11 0 0g 300.000 5000.000 1389.000 41 1.53818750e+01 2.41141042e-02-8.27847584e-06 1.28831856e-09-7.48649188e-14 2 -1.84296128e+03-5.64907641e+01-5.92409395e-01 5.86734947e-02-3.65981110e-05 3 1.18412541e-08-1.59845819e-12 4.05970723e+03 3.04115490e+01 4 end