N Ar He H O C
N2 AR HE H O2
OH O H2 H2O HO2
H2O2 CO CO2 HCO CH3
CH4 CH2O T-CH2 S-CH2 C2H4
CH3O C2H5 C2H6 CH C2H2
C2H4OOH OC2H3OOH C2H3 CH2CHO C2H4O
HCCO CH2CO C2H CH2OH CH3OH
CH3CHO CH3CO C2H5OH CH2CH2OH CH3CHOH
CH3CH2O C3H4 C3H3 C3H5 C3H6
C3H8 I-C3H7 N-C3H7 C3H6OOH OC3H5OOH
C4H10 PC4H9 SC4H9 C4H8 SC4H9O2
C4H8OOH1-3 NC4KET13
300.0
101325.0
N:2
Ref-Elm. Gurvich,1978 pt1 p280 pt2 p207. [tpis78]
2.210371500E+04, -3.818461820E+02, 6.082738360E+00, -8.530914410E-03,
1.384646190E-05, -9.625793620E-09, 2.519705810E-12, 7.108460860E+02,
-1.076003740E+01
5.877124060E+05, -2.239249070E+03, 6.066949220E+00, -6.139685500E-04,
1.491806680E-07, -1.923105490E-11, 1.061954390E-15, 1.283210410E+04,
-1.586640030E+01
8.310139160E+08, -6.420733540E+05, 2.020264640E+02, -3.065092050E-02,
2.486903330E-06, -9.705954110E-11, 1.437538880E-15, 4.938707040E+06,
-1.672099740E+03
linear
97.530
3.621
0.000
1.760
4.000
Ar:1
Ref-Elm. Moore,1971. Gordon,1999. [g 3/98]
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
4.379674910E+00
2.010538470E+01, -5.992661070E-02, 2.500069400E+00, -3.992141160E-08,
1.205272140E-11, -1.819015580E-15, 1.078576640E-19, -7.449939610E+02,
4.379180110E+00
-9.951265080E+08, 6.458887260E+05, -1.675894700E+02, 2.319933360E-02,
-1.721080910E-06, 6.531938460E-11, -9.740147730E-16, -5.078300340E+06,
1.465298480E+03
atom
136.500
3.330
0.000
0.000
0.000
He:1
Ref-Elm. Moore,1971. Moore,1970a. Gordon,1999. [g 5/97]
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
9.287239740E-01
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
9.287239740E-01
3.396845420E+06, -2.194037650E+03, 3.080231880E+00, -8.068957550E-05,
6.252784910E-09, -2.574990070E-13, 4.429960220E-18, 1.650518960E+04,
-4.048814390E+00
atom
10.200
2.576
0.000
0.000
0.000
H:1
E0(H2):Herzberg,1970. Moore,1972. Gordon,1999. [g 6/97]
0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.547370800E+04,
-4.466828530E-01
6.078774250E+01, -1.819354420E-01, 2.500211820E+00, -1.226512860E-07,
3.732876330E-11, -5.687744560E-15, 3.410210200E-19, 2.547486400E+04,
-4.481917770E-01
2.173757690E+08, -1.312035400E+05, 3.399174200E+01, -3.813999680E-03,
2.432854840E-07, -7.694275540E-12, 9.644105630E-17, 1.067638090E+06,
-2.742301050E+02
atom
145.000
2.050
0.000
0.000
0.000
O:2
Ref-Elm. Gurvich,1989 pt1 p94 pt2 p9. [tpis89]
-3.425563420E+04, 4.847000970E+02, 1.119010960E+00, 4.293889240E-03,
-6.836300520E-07, -2.023372700E-09, 1.039040020E-12, -3.391454870E+03,
1.849699470E+01
-1.037939020E+06, 2.344830280E+03, 1.819732040E+00, 1.267847580E-03,
-2.188067990E-07, 2.053719570E-11, -8.193467050E-16, -1.689010930E+04,
1.738716510E+01
4.975294300E+08, -2.866106870E+05, 6.690352250E+01, -6.169959020E-03,
3.016396030E-07, -7.421416600E-12, 7.278175770E-17, 2.293554030E+06,
-5.530621610E+02
linear
107.400
3.458
0.000
1.600
3.800
H:1 O:1
E0(H-OH): Ruscic,2002. Gurvich,1978 pt1 p110 pt2 p37. [g 4/02]
-1.998858990E+03, 9.300136160E+01, 3.050854230E+00, 1.529529290E-03,
-3.157891000E-06, 3.315446180E-09, -1.138762680E-12, 2.991214230E+03,
4.674110790E+00
1.017393380E+06, -2.509957280E+03, 5.116547860E+00, 1.305299930E-04,
-8.284322260E-08, 2.006475940E-11, -1.556993660E-15, 2.019640210E+04,
-1.101282340E+01
2.847234190E+08, -1.859532610E+05, 5.008240900E+01, -5.142374980E-03,
2.875536590E-07, -8.228817960E-12, 9.567229020E-17, 1.468393910E+06,
-4.023555580E+02
linear
80.000
2.750
0.000
0.000
0.000
O:1
E0(O2):Brix,1954. Moore,1976. Gordon,1999. [g 5/97]
-7.953611300E+03, 1.607177790E+02, 1.966226440E+00, 1.013670310E-03,
-1.110415420E-06, 6.517507500E-10, -1.584779250E-13, 2.840362440E+04,
8.404241820E+00
2.619020260E+05, -7.298722030E+02, 3.317177270E+00, -4.281334360E-04,
1.036104590E-07, -9.438304330E-12, 2.725038300E-16, 3.392428060E+04,
-6.679585350E-01
1.779004260E+08, -1.082328260E+05, 2.810778360E+01, -2.975232260E-03,
1.854997530E-07, -5.796231540E-12, 7.191720160E-17, 8.890942630E+05,
-2.181728150E+02
atom
80.000
2.750
0.000
0.000
0.000
H:2
Ref-Elm. Gurvich,1978 pt1 p103 pt2 p31. [tpis78]
4.078323210E+04, -8.009186040E+02, 8.214702010E+00, -1.269714460E-02,
1.753605080E-05, -1.202860270E-08, 3.368093490E-12, 2.682484660E+03,
-3.043788840E+01
5.608128010E+05, -8.371504740E+02, 2.975364530E+00, 1.252249120E-03,
-3.740716190E-07, 5.936625200E-11, -3.606994100E-15, 5.339824410E+03,
-2.202774770E+00
4.966884120E+08, -3.147547150E+05, 7.984121880E+01, -8.414789210E-03,
4.753248350E-07, -1.371873490E-11, 1.605461760E-16, 2.488433520E+06,
-6.695728110E+02
linear
38.000
2.920
0.000
0.790
280.000
H:2 O:1
Hf:Cox,1989. Woolley,1987. TRC(10/88) tuv25. [g 8/89]
-3.947960830E+04, 5.755731020E+02, 9.317826530E-01, 7.222712860E-03,
-7.342557370E-06, 4.955043490E-09, -1.336933250E-12, -3.303974310E+04,
1.724205780E+01
1.034972100E+06, -2.412698560E+03, 4.646110780E+00, 2.291998310E-03,
-6.836830480E-07, 9.426468930E-11, -4.822380530E-15, -1.384286510E+04,
-7.978148510E+00
nonlinear
572.400
2.605
1.844
0.000
4.000
H:1 O:2
Hf:Hills,1984 & NASA data. Jacox,1998 p153. [g 4/02]
-7.598882540E+04, 1.329383920E+03, -4.677388240E+00, 2.508308200E-02,
-3.006551590E-05, 1.895600060E-08, -4.828567390E-12, -5.873350960E+03,
5.193602140E+01
-1.810669720E+06, 4.963192030E+03, -1.039498990E+00, 4.560148530E-03,
-1.061859450E-06, 1.144567880E-10, -4.763064160E-15, -3.200817190E+04,
4.066850920E+01
nonlinear
107.400
3.458
0.000
0.000
1.000
H:2 O:2
Hf:Gurvich,1989 pt1 p127. Gurvich,1978 pt1 p121. [g 6/99]
-9.279533580E+04, 1.564748390E+03, -5.976460140E+00, 3.270744520E-02,
-3.932193260E-05, 2.509255240E-08, -6.465045290E-12, -2.494004730E+04,
5.877174180E+01
1.489428030E+06, -5.170821780E+03, 1.128204970E+01, -8.042397790E-05,
-1.818383770E-08, 6.947265590E-12, -4.827831900E-16, 1.418251040E+04,
-4.650855660E+01
nonlinear
107.400
3.458
0.000
0.000
3.800
C:1 O:1
Gurvich,1979 pt1 p25 pt2 p29. [tpis79]
1.489045330E+04, -2.922285940E+02, 5.724527170E+00, -8.176235030E-03,
1.456903470E-05, -1.087746300E-08, 3.027941830E-12, -1.303131880E+04,
-7.859241350E+00
4.619197250E+05, -1.944704860E+03, 5.916714180E+00, -5.664282830E-04,
1.398814540E-07, -1.787680360E-11, 9.620935570E-16, -2.466261080E+03,
-1.387413110E+01
8.868662960E+08, -7.500377840E+05, 2.495474980E+02, -3.956351100E-02,
3.297772080E-06, -1.318409930E-10, 1.998937950E-15, 5.701421130E+06,
-2.060704790E+03
linear
98.100
3.650
0.000
1.950
1.800
C:1 O:2
Gurvich,1991 pt1 p27 pt2 p24. [g 9/99]
4.943650540E+04, -6.264116010E+02, 5.301725240E+00, 2.503813820E-03,
-2.127308730E-07, -7.689988780E-10, 2.849677800E-13, -4.528198460E+04,
-7.048279440E+00
1.176962420E+05, -1.788791480E+03, 8.291523190E+00, -9.223156780E-05,
4.863676880E-09, -1.891053310E-12, 6.330036590E-16, -3.908350590E+04,
-2.652669280E+01
-1.544423290E+09, 1.016847060E+06, -2.561405230E+02, 3.369401080E-02,
-2.181184340E-06, 6.991420840E-11, -8.842351500E-16, -8.043214510E+06,
2.254177490E+03
linear
244.000
3.763
0.000
2.650
2.100
H:1 C:1 O:1
Hf:Terentis,1996. Jacox,1998 p146. [g 1/01]
-1.189851890E+04, 2.151536110E+02, 2.730224030E+00, 1.806516110E-03,
4.984300570E-06, -5.814567920E-09, 1.869689890E-12, 2.905755640E+03,
1.136772540E+01
6.949606120E+05, -3.656223380E+03, 9.604731170E+00, -1.117129280E-03,
2.875328020E-07, -3.626247740E-11, 1.808329600E-15, 2.543704440E+04,
-3.582473720E+01
nonlinear
498.000
3.590
0.000
0.000
0.000
H:3 C:1
E0(H3 C-H): Ruscic,1999. Jacox,1998. [g 4/02]
-2.876188810E+04, 5.093268660E+02, 2.002143950E-01, 1.363605830E-02,
-1.433989350E-05, 1.013556730E-08, -3.027331940E-12, 1.408271820E+04,
2.022772790E+01
2.760802660E+06, -9.336531170E+03, 1.487729610E+01, -1.439429770E-03,
2.444477950E-07, -2.224555780E-11, 8.395065760E-16, 7.481809480E+04,
-7.919682400E+01
linear
144.000
3.800
0.000
0.000
0.000
H:4 C:1
Gurvich,1991 pt1 p44 pt2 p36. [g 8/99]
-1.766851000E+05, 2.786181020E+03, -1.202577850E+01, 3.917619290E-02,
-3.619054430E-05, 2.026853040E-08, -4.976705490E-12, -2.331314360E+04,
8.904322750E+01
3.730042760E+06, -1.383501480E+04, 2.049107090E+01, -1.961974760E-03,
4.727313040E-07, -3.728814690E-11, 1.623737210E-15, 7.532066910E+04,
-1.219124890E+02
nonlinear
141.400
3.746
0.000
2.600
13.000
H:2 C:1 O:1
Hydroxymethylene CH-OH cis HF298=30.014+/-2 kcal Burcat G3B3 calc [T 9/09]
-4.789814200E+02, 3.243617760E+01, 3.128760040E+00, 1.178067810E-02,
-8.318441350E-05, 2.795580180E-07, -3.081857970E-10, 1.378719490E+04,
7.707284560E+00
-1.364692220E+05, 2.322781630E+03, -1.068904000E+01, 4.058044250E-02,
-4.449152570E-05, 2.650449430E-08, -6.567951280E-12, 3.138568150E+03,
8.469057510E+01
1.603292280E+06, -6.804808900E+03, 1.366596820E+01, -1.122032170E-03,
1.984302150E-07, -1.886261930E-11, 7.452552620E-16, 5.484616840E+04,
-6.524912940E+01
nonlinear
498.000
3.590
0.000
0.000
2.000
H:2 C:1
TRIPLET Methylene Radical IUPAC Task Group [IU3/03]
2.154321760E+01, -3.510041410E-01, 3.975221970E+00, 8.244726280E-04,
-8.765027650E-06, 3.066006610E-08, 9.455151350E-12, 4.584682040E+04,
6.007177000E-01
5.517152260E+03, 1.055786940E+02, 1.968502700E+00, 9.674644480E-03,
-1.554343930E-05, 1.353385100E-08, -4.424619200E-12, 4.556320430E+04,
1.024805250E+01
1.682560060E+06, -5.304297130E+03, 9.491269230E+00, -6.290210460E-04,
8.478081770E-08, -5.356749730E-12, 1.003464210E-16, 7.952986310E+04,
-4.039228720E+01
linear
144.000
3.800
0.000
0.000
0.000
H:2 C:1
NASA7/BURCAT [g 4/02]
0.000000000E+00, 0.000000000E+00, 4.193313250E+00, -2.331051840E-03,
8.156764510E-06, -6.629859810E-09, 1.932331990E-12, 4.733624710E+04,
-2.143628600E+00
0.000000000E+00, 0.000000000E+00, 3.135016860E+00, 2.895939260E-03,
-8.166680900E-07, 1.135726970E-10, -6.362628350E-15, 5.036622460E+04,
-7.467343100E-01
linear
144.000
3.800
0.000
0.000
0.000
H:4 C:2
TRC(4/88) w2600.Chao,1975. Knippers,1985. [g 1/00]
-1.163605840E+05, 2.554851510E+03, -1.609746430E+01, 6.625779320E-02,
-7.885081860E-05, 5.125224820E-08, -1.370340030E-11, -6.176191070E+03,
1.093338340E+02
3.408763670E+06, -1.374847900E+04, 2.365898070E+01, -2.423804420E-03,
4.431395660E-07, -4.352683390E-11, 1.775410630E-15, 8.820429380E+04,
-1.371278110E+02
nonlinear
280.800
3.971
0.000
0.000
1.500
H:3 C:1 O:1
Hf:Gurvich,1991 pt1 p67. Jacox,1998 p271. [g 7/00]
8.657117660E+04, -6.631685250E+02, 2.257455670E+00, 2.266283790E-02,
-2.970566400E-05, 2.199341350E-08, -6.588043380E-12, 4.174102130E+03,
8.174777900E+00
2.101188240E+06, -8.841968800E+03, 1.822645730E+01, -1.743485030E-03,
3.340434270E-07, -3.430673160E-11, 1.473897770E-15, 5.309582060E+04,
-9.422500590E+01
nonlinear
417.000
3.690
1.700
0.000
2.000
H:5 C:2
Chen,1990. [g 7/00]
-1.411312550E+05, 2.714285090E+03, -1.534977730E+01, 6.451672580E-02,
-7.259143960E-05, 4.599116010E-08, -1.218367540E-11, 5.981418840E+02,
1.090966520E+02
4.169220400E+06, -1.662982140E+04, 2.795442130E+01, -3.051715760E-03,
5.685160040E-07, -5.682863600E-11, 2.355648560E-15, 1.137010090E+05,
-1.639358000E+02
nonlinear
252.300
4.302
0.000
0.000
1.500
H:6 C:2
Ethane. Pamidimukkala,1982. [g 7/00]
-1.862044160E+05, 3.406191860E+03, -1.951705090E+01, 7.565835590E-02,
-8.204173220E-05, 5.061135800E-08, -1.319281990E-11, -2.702932890E+04,
1.298140500E+02
5.025782130E+06, -2.033022400E+04, 3.322552930E+01, -3.836703410E-03,
7.238405860E-07, -7.319182500E-11, 3.065468700E-15, 1.115963950E+05,
-2.039410580E+02
nonlinear
252.300
4.302
0.000
0.000
1.500
H:1 C:1
Gurvich,1979 pt1 p37 pt2 p39. [tpis79]
2.220590130E+04, -3.405411530E+02, 5.531452290E+00, -5.794964260E-03,
7.969554880E-06, -4.465911590E-09, 9.596338320E-13, 7.240783270E+04,
-9.107673050E+00
2.060763440E+06, -5.396206660E+03, 7.856293850E+00, -7.965907450E-04,
1.764308300E-07, -1.976386270E-11, 5.030429510E-16, 1.062236590E+05,
-3.154757440E+01
-8.068368690E+08, 4.575450540E+05, -9.843975080E+01, 1.235244100E-02,
-8.485608570E-07, 3.040410620E-11, -4.400315170E-16, -3.595851590E+06,
8.953477440E+02
linear
80.000
2.750
0.000
0.000
0.000
H:2 C:2
acetylene Hf:TRC(10/93) w-3040. Gurvich,1991 pt1 p47 pt2 p39. [g 1/91]
1.598112090E+05, -2.216644120E+03, 1.265707810E+01, -7.979651080E-03,
8.054992750E-06, -2.433307670E-09, -7.529233180E-14, 3.712619060E+04,
-5.244338900E+01
1.713847410E+06, -5.929106660E+03, 1.236127940E+01, 1.314186990E-04,
-1.362764430E-07, 2.712655790E-11, -1.302066200E-15, 6.266578970E+04,
-5.818960590E+01
linear
209.000
4.100
0.000
0.000
2.500
H:5 C:2 O:2
*C2H4-OOH HF298=11.841+/-2. kcal Burcat G3B3 [T 4/15]
1.962950940E+03, -1.165878440E+02, 5.236880990E+00, 2.566638540E-02,
-5.132094870E-05, 5.898842510E-08, 1.158090020E-10, 4.213904820E+03,
3.783229780E-02
-2.169609940E+05, 3.751442470E+03, -2.002611070E+01, 9.602970620E-02,
-1.160379250E-04, 7.511341340E-08, -1.984493050E-11, -1.355462470E+04,
1.377257190E+02
3.989144530E+06, -1.628433630E+04, 3.288337680E+01, -2.112598770E-03,
3.167892430E-07, -2.447967610E-11, 7.396758440E-16, 1.012458370E+05,
-1.856433030E+02
nonlinear
470.600
4.410
0.000
0.000
1.500
H:4 C:2 O:3
Glycolic Acid. Eorofeeva,2001. [srd 01]
-3.138978580E+05, 5.693068770E+03, -3.685160290E+01, 1.563502810E-01,
-2.039487990E-04, 1.340232410E-07, -3.509130260E-11, -9.801640090E+04,
2.269492350E+02
1.946628250E+06, -9.804020200E+03, 2.844111240E+01, -7.876404750E-04,
6.416275950E-08, 1.069321260E-12, -3.237178280E-16, -1.694650470E+04,
-1.474109360E+02
nonlinear
470.600
4.410
0.000
0.000
1.500
H:3 C:2
vinyl Radical. Ervin,1990. [g 7/01]
-3.347896870E+04, 1.064104100E+03, -6.403857060E+00, 3.934515480E-02,
-4.760046090E-05, 3.170071350E-08, -8.633406430E-12, 3.039122650E+04,
5.809226180E+01
2.718080090E+06, -1.030956830E+04, 1.836579810E+01, -1.580131150E-03,
2.680594940E-07, -2.439004000E-11, 9.209096390E-16, 9.765055590E+04,
-9.760086860E+01
nonlinear
209.000
4.100
0.000
0.000
1.000
H:3 C:2 O:1
Vinyl-Oxy radical HF298=3.048 kcal Burcat G3B3 [T04/06]
1.621003050E+03, -1.336813370E+02, 8.316742440E+00, -6.778271030E-02,
5.150794820E-04, -1.619358200E-06, 2.039414910E-09, 5.302547250E+02,
-9.071744400E+00
-8.571233740E+04, 1.693439410E+03, -9.814733180E+00, 5.378622230E-02,
-6.321376500E-05, 4.028270780E-08, -1.057166170E-11, -7.382702990E+03,
7.868486870E+01
2.444527790E+06, -1.055828110E+04, 2.160883130E+01, -1.683308970E-03,
2.905578800E-07, -2.685860500E-11, 1.028908330E-15, 6.288537110E+04,
-1.148573060E+02
nonlinear
436.000
3.970
0.000
0.000
2.000
H:4 C:2 O:1
ethylen-o Ethylene Oxide. Shimanouchi,1972.Chase,1998 9/65. [g 8/88]
-1.728233340E+05, 3.816678800E+03, -2.629851980E+01, 1.014103160E-01,
-1.240578370E-04, 8.034040350E-08, -2.120942540E-11, -2.437519330E+04,
1.654885060E+02
3.151809960E+06, -1.423646320E+04, 2.708080480E+01, -2.606238460E-03,
4.853891930E-07, -4.852144760E-11, 2.011778720E-15, 7.662561440E+04,
-1.563952400E+02
nonlinear
436.000
3.970
0.000
0.000
2.000
H:1 C:2 O:1
Ketenyl rad. Osborn,1997. Szalay,1996. Jacox,1998 p156. [g 6/01]
6.959612700E+04, -1.164594400E+03, 9.456616260E+00, -2.331240630E-03,
5.161873600E-06, -3.526169970E-09, 8.599143230E-13, 2.535003990E+04,
-2.726355350E+01
1.093922000E+06, -4.498228210E+03, 1.246446430E+01, -6.343317400E-04,
1.108549020E-07, -1.125488680E-11, 5.689151940E-16, 4.652280300E+04,
-5.099070430E+01
nonlinear
150.000
2.500
0.000
0.000
1.000
H:2 C:2 O:1
ketene E0(H2 C=CO): Ruscic,1999. Euncan,1987. [g 4/02]
3.549598090E+04, -4.063062830E+02, 3.718921920E+00, 1.583501820E-02,
-1.726195690E-05, 1.157376960E-08, -3.305842630E-12, -5.209992580E+03,
3.839604220E+00
2.013564920E+06, -8.200887460E+03, 1.759694070E+01, -1.464544520E-03,
2.695886970E-07, -2.665674840E-11, 1.094204520E-15, 4.177776880E+04,
-8.725803580E+01
nonlinear
436.000
3.970
0.000
0.000
2.000
H:1 C:2
Ervin, 1990. Jacox,1998. Peric,1990. Kanamori,1988. [g 6/01]
1.343669490E+04, -5.067970720E+02, 7.772107410E+00, -6.512339820E-03,
1.030117850E-05, -5.880147670E-09, 1.226901860E-12, 6.892269990E+04,
-1.871881630E+01
3.922334570E+06, -1.204751700E+04, 1.756172920E+01, -3.655442940E-03,
6.987685430E-07, -6.825162010E-11, 2.719262790E-15, 1.433266630E+05,
-9.561634380E+01
linear
209.000
4.100
0.000
0.000
2.500
H:3 C:1 O:1
Hydroxymethyl Radical. Johnson,1996. [g11/00]
-1.560076240E+05, 2.685446280E+03, -1.342022420E+01, 5.757139470E-02,
-7.284449990E-05, 4.836648860E-08, -1.293492600E-11, -1.596820410E+04,
9.963033700E+01
2.250349510E+06, -8.173186060E+03, 1.599639180E+01, -8.704133720E-04,
6.069183950E-08, 4.408349460E-12, -5.702309500E-16, 4.645313430E+04,
-7.835158450E+01
nonlinear
417.000
3.690
1.700
0.000
2.000
H:4 C:1 O:1
Hf:TRC(6/87) w5030.Chen,1977. [g 7/00]
-2.416642890E+05, 4.032147190E+03, -2.046415440E+01, 6.903698070E-02,
-7.598932690E-05, 4.598208360E-08, -1.158706740E-11, -4.433261170E+04,
1.400142190E+02
3.411570760E+06, -1.345500200E+04, 2.261407620E+01, -2.141029180E-03,
3.730050540E-07, -3.498846390E-11, 1.366073440E-15, 5.636081560E+04,
-1.277814280E+02
nonlinear
481.800
3.626
0.000
0.000
1.000
H:4 C:2 O:1
ethanal Hf:TRC (6/78) w5300.Chao,1986. [g 8/88]
-1.373904370E+05, 2.559937680E+03, -1.340470170E+01, 5.922128620E-02,
-6.240006050E-05, 3.703324410E-08, -9.342697410E-12, -3.318731310E+04,
1.007417650E+02
3.321176590E+06, -1.449719960E+04, 2.708421280E+01, -2.879320050E-03,
5.556309920E-07, -5.732674880E-11, 2.443965240E-15, 6.507755640E+04,
-1.536236030E+02
nonlinear
436.000
3.970
0.000
0.000
2.000
H:3 C:2 O:1
acetyl Radical. Hf:Niiranen,1992. Nimlos,1989. [g 6/96]
-7.193894130E+04, 1.464465170E+03, -6.632276130E+00, 4.108468380E-02,
-4.226256640E-05, 2.485766820E-08, -6.292558480E-12, -9.309370810E+03,
6.422897620E+01
2.485388150E+06, -1.120714200E+04, 2.277525440E+01, -2.314260550E-03,
4.536189170E-07, -4.742635550E-11, 2.044663900E-15, 6.380088410E+04,
-1.215350930E+02
nonlinear
436.000
3.970
0.000
0.000
2.000
H:6 C:2 O:1
Hf:TRC(6/87) w5030.Chao,1986. [g 8/88]
-2.342791390E+05, 4.479180550E+03, -2.744817300E+01, 1.088679160E-01,
-1.305309330E-04, 8.437346400E-08, -2.234559020E-11, -5.022229000E+04,
1.764829210E+02
4.694817650E+06, -1.929798210E+04, 3.447584040E+01, -3.236165980E-03,
5.784947720E-07, -5.564600270E-11, 2.226226400E-15, 8.601622710E+04,
-2.034801730E+02
nonlinear
470.600
4.410
0.000
0.000
1.500
H:5 C:2 O:1
CAS# 4422-54-2 HF298=-25.82+/-0.6 kJ ATcT C 2011 [T05/11]
-3.359599230E+02, 1.373508830E+01, 3.937237800E+00, 7.667813960E-03,
1.024007460E-04, -5.782632480E-07, 1.101485600E-09, -4.966857030E+03,
9.553657720E+00
-1.449854260E+05, 2.720687860E+03, -1.515045820E+01, 7.596988150E-02,
-9.325772530E-05, 6.232838650E-08, -1.703870730E-11, -1.724379650E+04,
1.114048960E+02
3.768859150E+06, -1.514941720E+04, 2.864932440E+01, -2.159557280E-03,
3.460511120E-07, -2.917290400E-11, 9.924029270E-16, 8.635748870E+04,
-1.592129880E+02
nonlinear
362.600
4.530
0.000
0.000
1.500
H:5 C:2 O:1
CAS# 2348-46-1 HF298=-55.29+/-0.6 kJ ATcT C 2011 [T06/11]
-1.312332600E+03, 9.607794040E+01, 1.619770180E+00, 3.619968280E-02,
-1.309519860E-04, 3.338751070E-07, -2.729704440E-10, -8.665403550E+03,
1.846711750E+01
-1.881087830E+05, 3.346306590E+03, -1.867917900E+01, 8.198885710E-02,
-9.816423710E-05, 6.371296050E-08, -1.692701220E-11, -2.367187830E+04,
1.307380050E+02
4.059770190E+06, -1.588482930E+04, 2.868943590E+01, -2.060684840E-03,
3.090660940E-07, -2.389340530E-11, 7.225495970E-16, 8.780036950E+04,
-1.617534160E+02
nonlinear
362.600
4.530
0.000
0.000
1.500
H:5 C:2 O:1
CH3CH2O* Ethoxy Radical HF298=-11.47+/-0.5 kJ ATcT C 2011 [T06/11]
-2.087906550E+03, 1.640610470E+02, -8.283239560E-01, 6.134250830E-02,
-2.886640770E-04, 8.517312850E-07, -9.115394240E-10, -3.501007340E+03,
2.686794260E+01
-1.364701650E+05, 2.656016710E+03, -1.610887040E+01, 7.740343910E-02,
-9.197064000E-05, 6.023883200E-08, -1.632653350E-11, -1.490641240E+04,
1.132156340E+02
3.766261990E+06, -1.625141400E+04, 3.068823500E+01, -2.936157020E-03,
5.398383220E-07, -5.315961490E-11, 2.169057650E-15, 9.394734790E+04,
-1.769038710E+02
nonlinear
470.600
4.410
0.000
0.000
1.500
H:4 C:3
allene TRC(4/84) w2750. Shimanouchi,1972 p115. Butcher,1973a. [g 2/00]
-1.645155750E+04, 9.629457810E+02, -7.532326680E+00, 5.518219110E-02,
-6.733585120E-05, 4.532709050E-08, -1.251837610E-11, 1.772494270E+04,
6.151969760E+01
3.479355100E+06, -1.430412450E+04, 2.702534760E+01, -2.557412370E-03,
4.706646750E-07, -4.651688070E-11, 1.908219040E-15, 1.072312350E+05,
-1.548846160E+02
linear
324.800
4.290
0.000
0.000
1.000
H:3 C:3
1-propynl TRC(4/98) tuvw3140. [n 4/98]
-6.505859350E+04, 1.350858920E+03, -5.825433930E+00, 3.756610480E-02,
-3.734903340E-05, 2.117676600E-08, -5.139113250E-12, 4.656510530E+04,
5.781477550E+01
4.550654870E+06, -1.640574170E+04, 2.712605990E+01, -4.474600380E-03,
1.037712420E-06, -1.250211370E-10, 6.026582050E-15, 1.534087660E+05,
-1.565931810E+02
linear
324.800
4.290
0.000
0.000
1.000
H:5 C:3
Radical. Burcat,2001 p58. [g 3/01]
-4.315996140E+04, 1.441600910E+03, -1.197014430E+01, 7.319796460E-02,
-9.066357850E-05, 6.077059450E-08, -1.658826360E-11, 1.232157460E+04,
8.563173240E+01
4.094570590E+06, -1.676676190E+04, 3.123006340E+01, -2.885449980E-03,
5.211343540E-07, -5.058284220E-11, 2.039932550E-15, 1.185720480E+05,
-1.823070200E+02
nonlinear
316.000
4.220
0.000
0.000
1.000
H:6 C:3
propylene Hf:TRC(4/88) w2600.Chao,1975. [g 2/00]
-1.912462170E+05, 3.542074240E+03, -2.114878630E+01, 8.901484790E-02,
-1.001429150E-04, 6.267959390E-08, -1.637870780E-11, -1.529961820E+04,
1.407641380E+02
5.017620340E+06, -2.086084030E+04, 3.644156340E+01, -3.881191170E-03,
7.278677190E-07, -7.321204500E-11, 3.052176370E-15, 1.261245350E+05,
-2.195715760E+02
nonlinear
266.800
4.982
0.000
0.000
1.000
H:8 C:3
Hf:TRC(10/85) w1350.Chao,1973. [g 2/00]
-2.433144340E+05, 4.656270810E+03, -2.939466090E+01, 1.188952740E-01,
-1.376308270E-04, 8.814823910E-08, -2.342987990E-11, -3.540335270E+04,
1.841749280E+02
6.420731680E+06, -2.659791130E+04, 4.534356840E+01, -5.020663920E-03,
9.471216940E-07, -9.575405230E-11, 4.009672880E-15, 1.455582460E+05,
-2.818374730E+02
nonlinear
266.800
4.982
0.000
0.000
1.000
H:7 C:3
i-propyl Radical. Tsang,1985. [g 9/85]
-2.952063450E+05, 5.294432300E+03, -3.105287010E+01, 1.143871560E-01,
-1.291752390E-04, 8.057843760E-08, -2.093908430E-11, -1.476815510E+04,
1.988082360E+02
5.807002520E+06, -2.411220000E+04, 4.085288400E+01, -4.517851330E-03,
8.499427170E-07, -8.573514340E-11, 3.583383960E-15, 1.546504050E+05,
-2.487098370E+02
nonlinear
303.400
4.810
0.000
0.000
1.000
H:7 C:3
n-propyl Radical. Tsang,1985. [g 7/01]
-1.895337070E+05, 3.949517260E+03, -2.606216090E+01, 1.121920440E-01,
-1.365292210E-04, 9.023662720E-08, -2.441056990E-11, -7.227877440E+03,
1.673705560E+02
5.646512940E+06, -2.291087140E+04, 3.987275180E+01, -4.106232870E-03,
7.562557770E-07, -7.478263020E-11, 3.068983680E-15, 1.483006850E+05,
-2.403781190E+02
nonlinear
303.400
4.810
0.000
0.000
1.000
H:7 C:3 O:2
PropylPeroxy radical HF298=-10.150+/-2. kcal Burcat G3B3 [T04/10]
3.028724180E+03, -1.712217340E+02, 5.739037060E+00, 4.705849260E-02,
-3.302950860E-04, 1.256838870E-06, -1.592132760E-09, -6.745583500E+03,
-1.516095240E+00
-4.295148270E+05, 7.411636960E+03, -4.252579460E+01, 1.556632380E-01,
-1.772259180E-04, 1.090121070E-07, -2.774200380E-11, -4.165299650E+04,
2.643665820E+02
5.797578980E+06, -2.557769960E+04, 4.765756210E+01, -4.442973960E-03,
8.042711080E-07, -7.813819920E-11, 3.150806250E-15, 1.447062450E+05,
-2.879555220E+02
nonlinear
487.900
4.820
0.000
0.000
1.000
H:6 C:3 O:3
HF298=-138.273+/-2. kcal Burcat G3B3 [T 3/15]
-5.711696620E+03, 5.029891220E+02, -1.304325010E+01, 2.588730260E-01,
-1.473035190E-03, 4.515616470E-06, -5.471824210E-09, -7.343481260E+04,
7.404256300E+01
-4.423310410E+05, 7.250175470E+03, -4.071789380E+01, 1.576263090E-01,
-1.824110310E-04, 1.116756430E-07, -2.801208530E-11, -1.058352730E+05,
2.529529760E+02
4.459301990E+06, -2.087856040E+04, 4.429424900E+01, -3.462710660E-03,
6.123413970E-07, -5.812597210E-11, 2.290711150E-15, 5.022792720E+04,
-2.601496930E+02
nonlinear
487.900
4.820
0.000
0.000
1.000
H:10 C:4
n-butane Hf:TRC(10/85) w1350.Chen,1975. [g12/00]
-3.175872540E+05, 6.176331820E+03, -3.891562120E+01, 1.584654280E-01,
-1.860050160E-04, 1.199676350E-07, -3.201670550E-11, -4.540363390E+04,
2.379488670E+02
7.682322450E+06, -3.256051510E+04, 5.736732750E+01, -6.197916810E-03,
1.180186050E-06, -1.221893700E-10, 5.250635250E-15, 1.774526560E+05,
-3.587918760E+02
nonlinear
350.900
5.206
0.000
0.000
1.000
H:9 C:4
TRC(10/84) tuvw1940. [n10/84]
-2.239560410E+05, 4.676554100E+03, -2.985424450E+01, 1.345493700E-01,
-1.600660350E-04, 1.045338100E-07, -2.812951050E-11, -1.525297700E+04,
1.901651560E+02
7.198686940E+06, -2.959241520E+04, 5.242042810E+01, -5.441572440E-03,
9.917758370E-07, -9.464455870E-11, 3.729487040E-15, 1.834566470E+05,
-3.214209170E+02
nonlinear
352.000
5.240
0.000
0.000
1.000
H:9 C:4
s-butyl 1-methylpropyl radical. Tsang,1985. [g 1/93]
-3.351062890E+05, 6.312945950E+03, -4.003025260E+01, 1.563875050E-01,
-1.842331790E-04, 1.182727850E-07, -3.131156590E-11, -2.216045660E+04,
2.481295710E+02
7.224744350E+06, -3.035291100E+04, 5.288551830E+01, -5.652083550E-03,
1.060032690E-06, -1.066129840E-10, 4.443810960E-15, 1.883494280E+05,
-3.255719880E+02
nonlinear
352.000
5.240
0.000
0.000
1.000
H:8 C:4
TRC(4/88) tuvw2600. [n 4/88]
-2.721492010E+05, 5.100079250E+03, -3.183786250E+01, 1.317754440E-01,
-1.527359340E-04, 9.714761110E-08, -2.560204470E-11, -2.523096390E+04,
2.006932110E+02
6.257948610E+06, -2.660376310E+04, 4.764920050E+01, -4.383267110E-03,
7.128838440E-07, -5.991020840E-11, 2.051753500E-15, 1.569252660E+05,
-2.913869760E+02
nonlinear
355.000
4.650
0.000
0.000
1.000
H:9 C:4 O:2
sButyl Peroxy rad CH3CH(O-O*)C2H5 HF298=-20.1755+/-2. kcal Burcat G3B3 [T04/09]
-7.629148960E+03, 5.901303300E+02, -1.363975390E+01, 2.767433990E-01,
-1.591015410E-03, 4.931600910E-06, -5.916669980E-09, -1.469044710E+04,
8.167603350E+01
-4.870670050E+05, 8.469342660E+03, -5.064990610E+01, 1.977422530E-01,
-2.344547080E-04, 1.481803190E-07, -3.841816630E-11, -5.193248570E+04,
3.102441570E+02
6.659999480E+06, -2.964336290E+04, 5.791055310E+01, -5.363948820E-03,
8.952148790E-07, -7.929001980E-11, 2.901447390E-15, 1.624111800E+05,
-3.489582580E+02
nonlinear
496.000
5.200
0.000
0.000
1.000
H:9 C:4 O:2
terButyl Peroxy rad (CH3)3COO* HF298=-25.433+/-2 kcal REF=Elke Goos [T04/08]
-1.210420930E+04, 8.935168430E+02, -2.055190640E+01, 3.243668290E-01,
-1.645932050E-03, 4.572508110E-06, -4.998616460E-09, -1.836193580E+04,
1.101774920E+02
-3.974029490E+05, 6.860059020E+03, -4.137890980E+01, 1.799181760E-01,
-2.208699310E-04, 1.447691540E-07, -3.866724680E-11, -4.719319660E+04,
2.557538550E+02
6.998896110E+06, -2.926623230E+04, 5.619938820E+01, -4.300901470E-03,
6.526438170E-07, -5.152148740E-11, 1.625655580E-15, 1.589164590E+05,
-3.386571600E+02
nonlinear
496.000
5.200
0.000
0.000
1.000
H:8 C:4 O:3
NASA7/THERMO C2H4 UCSD.CTI [g 1/93]
0.000000000E+00, 0.000000000E+00, 2.748834610E+00, 5.869367450E-02,
-4.496058950E-05, 1.832001300E-08, -3.117653690E-12, -2.216045660E+04,
2.481295710E+02
0.000000000E+00, 0.000000000E+00, 1.964308080E+01, 1.809405660E-02,
-6.330632320E-06, 9.978603990E-10, -5.850764580E-14, -4.595888510E+04,
-7.169050940E+01
nonlinear
476.000
5.778
2.600
0.000
1.000
H + O2 [=] OH + O
3.520000E+13
-0.7
17069.790000
H:1.0 O2:1
O:1 OH:1.0
H2 + O [=] OH + H
5.060000E+01
2.67
6290.630000
H2:1.0 O:1
H:1 OH:1.0
H2 + OH [=] H2O + H
1.170000E+06
1.3
3635.280000
H2:1.0 OH:1
H:1 H2O:1.0
H2O + O [=] 2 OH
7.000000E+02
2.33
14548.280000
H2O:1.0 O:1
OH:2.0
2 H + M [=] H2 + M
1.300000E+12
-1.0
0.000000
CO2:3.8 CO:1.9 H2:2.5 H2O:12.0 AR:0.5 HE:0.5
H:2.0
H2:1.0
H + OH + M [=] H2O + M
4.000000E+16
-2.0
0.000000
CO2:3.8 CO:1.9 H2:2.5 H2O:12.0 AR:0.38 HE:0.38
H:1.0 OH:1
H2O:1.0
2 O + M [=] O2 + M
6.170000E+09
-0.5
0.000000
CO2:3.8 CO:1.9 H2:2.5 H2O:12.0 AR:0.2 HE:0.2
O:2.0
O2:1.0
H + O + M [=] OH + M
4.710000E+12
-1.0
0.000000
CO2:3.8 CO:1.9 H2:2.5 H2O:12.0 AR:0.75 HE:0.75
H:1.0 O:1
OH:1.0
H + O2 (+ M) [=] HO2 (+ M)
4.650000E+09
0.44
0.000000
5.750000E+13
-1.4
0.000000
CO2:2.4 CO:1.2 H2:2.5 H2O:16.0 AR:0.7 C2H6:1.5 HE:0.7
0.5 1e-30 1e+30
H:1.0 O2:1
HO2:1.0
HO2 + H [=] 2 OH
7.080000E+10
0.0
294.930000
H:1 HO2:1.0
OH:2.0
HO2 + H [=] H2 + O2
1.660000E+10
0.0
822.900000
H:1 HO2:1.0
H2:1.0 O2:1
HO2 + H [=] H2O + O
3.100000E+10
0.0
1720.840000
H:1 HO2:1.0
H2O:1.0 O:1
HO2 + O [=] OH + O2
2.000000E+10
0.0
0.000000
HO2:1.0 O:1
O2:1 OH:1.0
HO2 + OH [=] H2O + O2
7.000000E+09
0.0
-1094.650000
HO2:1.0 OH:1
H2O:1.0 O2:1
HO2 + OH [=] H2O + O2
4.500000E+11
0.0
10929.730000
HO2:1.0 OH:1
H2O:1.0 O2:1
2 OH (+ M) [=] H2O2 (+ M)
9.550000E+10
-0.27
0.000000
2.760000E+19
-3.2
0.000000
CO2:2.0 CO:1.5 H2O2:6.0 H2:2.5 H2O:6.0 AR:0.7 HE:0.4
0.57 1e+30 1e-30
OH:2.0
H2O2:1.0
2 HO2 [=] H2O2 + O2
1.030000E+11
0.0
11042.070000
HO2:2.0
H2O2:1.0 O2:1
2 HO2 [=] H2O2 + O2
1.940000E+08
0.0
-1408.940000
HO2:2.0
H2O2:1.0 O2:1
H2O2 + H [=] HO2 + H2
2.300000E+10
0.0
7950.050000
H:1 H2O2:1.0
H2:1 HO2:1.0
H2O2 + H [=] H2O + OH
1.000000E+10
0.0
3585.090000
H:1 H2O2:1.0
H2O:1.0 OH:1
H2O2 + OH [=] H2O + HO2
1.740000E+09
0.0
1434.030000
H2O2:1.0 OH:1
H2O:1.0 HO2:1
H2O2 + OH [=] H2O + HO2
7.590000E+10
0.0
7272.940000
H2O2:1.0 OH:1
H2O:1.0 HO2:1
H2O2 + O [=] HO2 + OH
9.630000E+03
2.0
3991.400000
H2O2:1.0 O:1
HO2:1.0 OH:1
CO + O (+ M) [=] CO2 (+ M)
1.800000E+08
0.0
2384.080000
1.550000E+18
-2.79
4190.970000
CO2:4.0 CO:2.0 H2:2.5 H2O:12.0 AR:0.7 HE:0.7
1 1 1e+07 1e+07
CO:1.0 O:1
CO2:1.0
CO + OH [=] CO2 + H
4.400000E+03
1.5
-740.920000
CO:1.0 OH:1
H:1 CO2:1.0
CO + HO2 [=] CO2 + OH
2.000000E+10
0.0
22944.550000
HO2:1 CO:1.0
CO2:1.0 OH:1
CO + O2 [=] CO2 + O
1.000000E+09
0.0
47700.050000
CO:1.0 O2:1
CO2:1.0 O:1
HCO + M [=] CO + H + M
1.860000E+14
-1.0
17000.480000
H2:1.9 H2O:12.0 CO2:2.5 CO:2.5
HCO:1.0
H:1 CO:1.0
HCO + H [=] CO + H2
5.000000E+10
0.0
0.000000
H:1 HCO:1.0
H2:1 CO:1.0
HCO + O [=] CO + OH
3.000000E+10
0.0
0.000000
HCO:1.0 O:1
CO:1.0 OH:1
HCO + O [=] CO2 + H
3.000000E+10
0.0
0.000000
HCO:1.0 O:1
H:1 CO2:1.0
HCO + OH [=] CO + H2O
3.000000E+10
0.0
0.000000
HCO:1.0 OH:1
H2O:1 CO:1.0
HCO + O2 [=] CO + HO2
7.580000E+09
0.0
409.890000
HCO:1.0 O2:1
HO2:1 CO:1.0
HCO + CH3 [=] CO + CH4
5.000000E+10
0.0
0.000000
CH3:1 HCO:1.0
CH4:1 CO:1.0
H + HCO (+ M) [=] CH2O (+ M)
1.090000E+09
0.48
-260.040000
1.350000E+18
-2.57
424.950000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0 C2H6:3.0
0.7824 271 2755 6570
H:1.0 HCO:1
CH2O:1.0
CH2O + H [=] HCO + H2
5.740000E+04
1.9
2748.570000
CH2O:1.0 H:1
H2:1 HCO:1.0
CH2O + O [=] HCO + OH
3.500000E+10
0.0
3513.380000
CH2O:1.0 O:1
HCO:1.0 OH:1
CH2O + OH [=] HCO + H2O
3.900000E+07
0.89
406.310000
CH2O:1.0 OH:1
H2O:1 HCO:1.0
CH2O + O2 [=] HCO + HO2
6.000000E+10
0.0
40674.000000
CH2O:1.0 O2:1
HO2:1 HCO:1.0
CH2O + HO2 [=] HCO + H2O2
4.110000E+01
2.5
10210.330000
CH2O:1.0 HO2:1
HCO:1.0 H2O2:1
CH4 + H [=] H2 + CH3
1.300000E+01
3.0
8037.760000
H:1 CH4:1.0
H2:1.0 CH3:1
CH4 + OH [=] H2O + CH3
1.600000E+04
1.83
2782.030000
CH4:1.0 OH:1
H2O:1.0 CH3:1
CH4 + O [=] CH3 + OH
1.900000E+06
1.44
8675.910000
CH4:1.0 O:1
CH3:1.0 OH:1
CH4 + O2 [=] CH3 + HO2
3.980000E+10
0.0
56890.540000
CH4:1.0 O2:1
CH3:1.0 HO2:1
CH4 + HO2 [=] CH3 + H2O2
9.030000E+09
0.0
24641.490000
HO2:1 CH4:1.0
CH3:1.0 H2O2:1
CH3 + H [=] T-CH2 + H2
1.800000E+11
0.0
15105.160000
H:1 CH3:1.0
H2:1 T-CH2:1.0
CH3 + H [=] S-CH2 + H2
1.550000E+11
0.0
13479.920000
H:1 CH3:1.0
S-CH2:1.0 H2:1
CH3 + OH [=] S-CH2 + H2O
4.000000E+10
0.0
2502.390000
CH3:1.0 OH:1
S-CH2:1.0 H2O:1
CH3 + O [=] CH2O + H
8.430000E+10
0.0
0.000000
CH3:1.0 O:1
CH2O:1.0 H:1
CH3 + T-CH2 [=] C2H4 + H
4.220000E+10
0.0
0.000000
CH3:1.0 T-CH2:1
H:1 C2H4:1.0
CH3 + HO2 [=] CH3O + OH
5.000000E+09
0.0
0.000000
CH3:1.0 HO2:1
CH3O:1.0 OH:1
CH3 + O2 [=] CH2O + OH
3.300000E+08
0.0
8941.200000
CH3:1.0 O2:1
CH2O:1.0 OH:1
CH3 + O2 [=] CH3O + O
1.100000E+10
0.0
27820.030000
CH3:1.0 O2:1
CH3O:1.0 O:1
2 CH3 [=] C2H4 + H2
1.000000E+11
0.0
32002.870000
CH3:2.0
H2:1 C2H4:1.0
2 CH3 [=] C2H5 + H
3.160000E+10
0.0
14698.850000
CH3:2.0
H:1 C2H5:1.0
H + CH3 (+ M) [=] CH4 (+ M)
1.270000E+13
-0.63
382.890000
2.470000E+27
-4.76
2440.010000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
0.783 74 2941 6964
H:1.0 CH3:1
CH4:1.0
2 CH3 (+ M) [=] C2H6 (+ M)
1.810000E+10
0.0
0.000000
1.270000E+35
-7.0
2762.910000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0 C2H6:3.0
0.62 73 1200
CH3:2.0
C2H6:1.0
S-CH2 + OH [=] CH2O + H
3.000000E+10
0.0
0.000000
S-CH2:1.0 OH:1
CH2O:1.0 H:1
S-CH2 + O2 [=] CO + OH + H
3.130000E+10
0.0
0.000000
S-CH2:1.0 O2:1
H:1 CO:1.0 OH:1
S-CH2 + CO2 [=] CO + CH2O
3.000000E+09
0.0
0.000000
S-CH2:1.0 CO2:1
CH2O:1 CO:1.0
S-CH2 + M [=] T-CH2 + M
6.000000E+09
0.0
0.000000
H2:2.4 H2O:15.4 CO2:3.6 CO:1.8
S-CH2:1.0
T-CH2:1.0
T-CH2 + H [=] CH + H2
6.020000E+09
0.0
-1787.760000
H:1 T-CH2:1.0
H2:1 CH:1.0
T-CH2 + OH [=] CH2O + H
2.500000E+10
0.0
0.000000
OH:1 T-CH2:1.0
CH2O:1.0 H:1
T-CH2 + OH [=] CH + H2O
1.130000E+04
2.0
2999.520000
OH:1 T-CH2:1.0
H2O:1 CH:1.0
T-CH2 + O [=] CO + 2 H
8.000000E+10
0.0
0.000000
O:1 T-CH2:1.0
H:2.0 CO:1.0
T-CH2 + O [=] CO + H2
4.000000E+10
0.0
0.000000
O:1 T-CH2:1.0
H2:1 CO:1.0
T-CH2 + O2 [=] CO2 + H2
2.630000E+09
0.0
1491.400000
O2:1 T-CH2:1.0
H2:1 CO2:1.0
T-CH2 + O2 [=] CO + OH + H
6.580000E+09
0.0
1491.400000
O2:1 T-CH2:1.0
H:1 CO:1.0 OH:1
2 T-CH2 [=] C2H2 + 2 H
1.000000E+11
0.0
0.000000
T-CH2:2.0
H:2.0 C2H2:1.0
CH + O [=] CO + H
4.000000E+10
0.0
0.000000
CH:1.0 O:1
H:1 CO:1.0
CH + O2 [=] HCO + O
1.770000E+08
0.76
-478.010000
CH:1.0 O2:1
HCO:1.0 O:1
CH + H2O [=] CH2O + H
1.170000E+12
-0.75
0.000000
H2O:1 CH:1.0
CH2O:1.0 H:1
CH + CO2 [=] HCO + CO
4.800000E-02
3.22
-3226.580000
CH:1.0 CO2:1
CO:1 HCO:1.0
CH3O + H [=] CH2O + H2
2.000000E+10
0.0
0.000000
H:1 CH3O:1.0
CH2O:1.0 H2:1
CH3O + H [=] S-CH2 + H2O
1.600000E+10
0.0
0.000000
H:1 CH3O:1.0
S-CH2:1.0 H2O:1
CH3O + OH [=] CH2O + H2O
5.000000E+09
0.0
0.000000
CH3O:1.0 OH:1
CH2O:1.0 H2O:1
CH3O + O [=] OH + CH2O
1.000000E+10
0.0
0.000000
CH3O:1.0 O:1
CH2O:1 OH:1.0
CH3O + O2 [=] CH2O + HO2
4.280000E-16
7.6
-3537.280000
CH3O:1.0 O2:1
CH2O:1.0 HO2:1
CH3O + M [=] CH2O + H + M
7.780000E+10
0.0
13513.380000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
CH3O:1.0
CH2O:1.0 H:1
C2H6 + H [=] C2H5 + H2
5.400000E-01
3.5
5210.330000
C2H6:1.0 H:1
H2:1 C2H5:1.0
C2H6 + O [=] C2H5 + OH
1.400000E-03
4.3
2772.470000
C2H6:1.0 O:1
C2H5:1.0 OH:1
C2H6 + OH [=] C2H5 + H2O
2.200000E+04
1.9
1123.330000
C2H6:1.0 OH:1
C2H5:1.0 H2O:1
C2H6 + CH3 [=] C2H5 + CH4
5.500000E-04
4.0
8293.500000
C2H6:1.0 CH3:1
C2H5:1.0 CH4:1
C2H6 (+ M) [=] C2H5 + H (+ M)
8.850000E+20
-1.23
102222.750000
4.900000E+39
-6.43
107169.930000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0 C2H6:3.0
0.84 125 2219 6882
C2H6:1.0
H:1 C2H5:1.0
C2H6 + HO2 [=] C2H5 + H2O2
1.320000E+10
0.0
20469.890000
C2H6:1.0 HO2:1
C2H5:1.0 H2O2:1
C2H5 + H [=] C2H4 + H2
3.000000E+10
0.0
0.000000
H:1 C2H5:1.0
H2:1 C2H4:1.0
C2H5 + O [=] C2H4 + OH
3.060000E+10
0.0
0.000000
C2H5:1.0 O:1
C2H4:1.0 OH:1
C2H5 + O [=] CH3 + CH2O
4.240000E+10
0.0
0.000000
C2H5:1.0 O:1
CH2O:1 CH3:1.0
C2H5 + O2 [=] C2H4 + HO2
7.500000E+11
-1.0
4799.950000
C2H5:1.0 O2:1
C2H4:1.0 HO2:1
C2H5 + O2 [=] C2H4OOH
2.000000E+09
0.0
0.000000
C2H5:1.0 O2:1
C2H4OOH:1.0
C2H4OOH [=] C2H4 + HO2
4.000000E+34
-7.2
23000.000000
C2H4OOH:1.0
C2H4:1.0 HO2:1
C2H4OOH + O2 [=] OC2H3OOH + OH
7.500000E+02
1.3
-5799.950000
C2H4OOH:1.0 O2:1
OH:1 OC2H3OOH:1.0
OC2H3OOH [=] CH2O + HCO + OH
1.000000E+15
0.0
43000.000000
OC2H3OOH:1.0
CH2O:1.0 HCO:1 OH:1
C2H5 (+ M) [=] C2H4 + H (+ M)
1.110000E+10
1.037
36768.640000
3.990000E+30
-4.99
40000.000000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
0.168 1200 1e-30
C2H5:1.0
H:1 C2H4:1.0
C2H4 + H [=] C2H3 + H2
4.490000E+04
2.12
13360.420000
H:1 C2H4:1.0
H2:1 C2H3:1.0
C2H4 + OH [=] C2H3 + H2O
5.530000E+02
2.31
2963.670000
C2H4:1.0 OH:1
H2O:1 C2H3:1.0
C2H4 + O [=] CH3 + HCO
2.250000E+03
2.08
0.000000
C2H4:1.0 O:1
CH3:1.0 HCO:1
C2H4 + O [=] CH2CHO + H
1.210000E+03
2.08
0.000000
C2H4:1.0 O:1
CH2CHO:1.0 H:1
2 C2H4 [=] C2H3 + C2H5
5.010000E+11
0.0
64700.050000
C2H4:2.0
C2H5:1 C2H3:1.0
C2H4 + O2 [=] C2H3 + HO2
4.220000E+10
0.0
57623.090000
C2H4:1.0 O2:1
HO2:1 C2H3:1.0
C2H4 + HO2 [=] C2H4O + OH
2.230000E+09
0.0
17189.290000
C2H4:1.0 HO2:1
OH:1 C2H4O:1.0
C2H4O + HO2 [=] CH3 + CO + H2O2
4.000000E+09
0.0
17007.650000
HO2:1 C2H4O:1.0
CH3:1.0 CO:1 H2O2:1
C2H4 + M [=] C2H3 + H + M
2.600000E+14
0.0
96568.120000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
C2H4:1.0
H:1 C2H3:1.0
C2H4 + M [=] C2H2 + H2 + M
3.500000E+13
0.0
71532.030000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
C2H4:1.0
H2:1 C2H2:1.0
C2H3 + H [=] C2H2 + H2
4.000000E+10
0.0
0.000000
H:1 C2H3:1.0
H2:1 C2H2:1.0
C2H3 (+ M) [=] C2H2 + H (+ M)
6.380000E+09
1.0
37626.670000
1.510000E+11
0.1
32685.950000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
0.3 1e+30 1e-30
C2H3:1.0
H:1 C2H2:1.0
C2H3 + O2 [=] CH2O + HCO
1.700000E+26
-5.312
6503.110000
C2H3:1.0 O2:1
CH2O:1.0 HCO:1
C2H3 + O2 [=] CH2CHO + O
7.000000E+11
-0.611
5262.430000
C2H3:1.0 O2:1
CH2CHO:1.0 O:1
C2H3 + O2 [=] C2H2 + HO2
5.190000E+12
-1.26
3312.620000
C2H3:1.0 O2:1
HO2:1 C2H2:1.0
C2H2 + O [=] HCCO + H
4.000000E+11
0.0
10659.660000
C2H2:1.0 O:1
H:1 HCCO:1.0
C2H2 + O [=] T-CH2 + CO
1.600000E+11
0.0
9894.840000
C2H2:1.0 O:1
CO:1 T-CH2:1.0
C2H2 + O2 [=] CH2O + CO
4.600000E+12
-0.54
44933.080000
C2H2:1.0 O2:1
CH2O:1.0 CO:1
C2H2 + OH [=] CH2CO + H
1.900000E+04
1.7
999.040000
C2H2:1.0 OH:1
H:1 CH2CO:1.0
C2H2 + OH [=] C2H + H2O
3.370000E+04
2.0
14000.960000
C2H2:1.0 OH:1
C2H:1.0 H2O:1
CH2CO + H [=] CH3 + CO
1.500000E+06
1.43
2688.810000
H:1 CH2CO:1.0
CH3:1.0 CO:1
CH2CO + O [=] T-CH2 + CO2
2.000000E+10
0.0
2294.460000
CH2CO:1.0 O:1
CO2:1 T-CH2:1.0
CH2CO + O [=] HCCO + OH
1.000000E+10
0.0
2000.480000
CH2CO:1.0 O:1
HCCO:1.0 OH:1
CH2CO + CH3 [=] C2H5 + CO
9.000000E+07
0.0
0.000000
CH2CO:1.0 CH3:1
C2H5:1.0 CO:1
HCCO + H [=] S-CH2 + CO
1.500000E+11
0.0
0.000000
H:1 HCCO:1.0
S-CH2:1.0 CO:1
HCCO + OH [=] HCO + CO + H
2.000000E+09
0.0
0.000000
HCCO:1.0 OH:1
H:1 CO:1 HCO:1.0
HCCO + O [=] 2 CO + H
9.640000E+10
0.0
0.000000
HCCO:1.0 O:1
H:1 CO:2.0
HCCO + O2 [=] 2 CO + OH
2.880000E+04
1.7
1001.430000
HCCO:1.0 O2:1
CO:2.0 OH:1
HCCO + O2 [=] CO2 + CO + H
1.400000E+04
1.7
1001.430000
HCCO:1.0 O2:1
H:1 CO2:1.0 CO:1
C2H + OH [=] HCCO + H
2.000000E+10
0.0
0.000000
C2H:1.0 OH:1
H:1 HCCO:1.0
C2H + O [=] CO + CH
1.020000E+10
0.0
0.000000
C2H:1.0 O:1
CH:1 CO:1.0
C2H + O2 [=] HCCO + O
6.020000E+08
0.0
0.000000
C2H:1.0 O2:1
HCCO:1.0 O:1
C2H + O2 [=] CH + CO2
4.500000E+12
0.0
25095.600000
C2H:1.0 O2:1
CH:1.0 CO2:1
C2H + O2 [=] HCO + CO
2.410000E+09
0.0
0.000000
C2H:1.0 O2:1
CO:1 HCO:1.0
CH2OH + H [=] CH2O + H2
3.000000E+10
0.0
0.000000
CH2OH:1.0 H:1
CH2O:1.0 H2:1
CH2OH + H [=] CH3 + OH
2.500000E+14
-0.93
5126.910000
CH2OH:1.0 H:1
CH3:1.0 OH:1
CH2OH + OH [=] CH2O + H2O
2.400000E+10
0.0
0.000000
CH2OH:1.0 OH:1
CH2O:1.0 H2O:1
CH2OH + O2 [=] CH2O + HO2
5.000000E+09
0.0
0.000000
CH2OH:1.0 O2:1
CH2O:1.0 HO2:1
CH2OH + M [=] CH2O + H + M
5.000000E+10
0.0
25119.500000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
CH2OH:1.0
CH2O:1.0 H:1
CH3O + M [=] CH2OH + M
1.000000E+11
0.0
19120.460000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
CH3O:1.0
CH2OH:1.0
CH2CO + OH [=] CH2OH + CO
1.020000E+10
0.0
0.000000
CH2CO:1.0 OH:1
CH2OH:1.0 CO:1
CH3OH + OH [=] CH2OH + H2O
1.440000E+03
2.0
-838.910000
CH3OH:1.0 OH:1
CH2OH:1.0 H2O:1
CH3OH + OH [=] CH3O + H2O
4.400000E+03
2.0
1505.740000
CH3OH:1.0 OH:1
H2O:1 CH3O:1.0
CH3OH + H [=] CH2OH + H2
1.354000E+00
3.2
3490.680000
CH3OH:1.0 H:1
H2:1 CH2OH:1.0
CH3OH + H [=] CH3O + H2
6.830000E-02
3.4
7239.960000
CH3OH:1.0 H:1
H2:1 CH3O:1.0
CH3OH + O [=] CH2OH + OH
3.880000E+02
2.5
3080.780000
CH3OH:1.0 O:1
CH2OH:1.0 OH:1
CH3OH + HO2 [=] CH2OH + H2O2
8.000000E+10
0.0
19383.370000
CH3OH:1.0 HO2:1
CH2OH:1.0 H2O2:1
CH3OH + O2 [=] CH2OH + HO2
2.000000E+10
0.0
44933.080000
CH3OH:1.0 O2:1
CH2OH:1.0 HO2:1
CH3OH (+ M) [=] CH3 + OH (+ M)
1.900000E+16
0.0
91729.920000
2.950000E+41
-7.35
95460.090000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
0.414 280 5500
CH3OH:1.0
CH3:1.0 OH:1
CH2CHO [=] CH2CO + H
1.047000E+37
-7.189
44340.340000
CH2CHO:1.0
H:1 CH2CO:1.0
CH2CHO + H [=] CH3 + HCO
5.000000E+10
0.0
0.000000
CH2CHO:1.0 H:1
CH3:1.0 HCO:1
CH2CHO + H [=] CH2CO + H2
2.000000E+10
0.0
0.000000
CH2CHO:1.0 H:1
H2:1 CH2CO:1.0
CH2CHO + O [=] CH2O + HCO
1.000000E+11
0.0
0.000000
CH2CHO:1.0 O:1
CH2O:1.0 HCO:1
CH2CHO + OH [=] CH2CO + H2O
3.000000E+10
0.0
0.000000
CH2CHO:1.0 OH:1
CH2CO:1.0 H2O:1
CH2CHO + O2 [=] CH2O + CO + OH
3.000000E+07
0.0
0.000000
CH2CHO:1.0 O2:1
CH2O:1.0 CO:1 OH:1
CH2CHO + CH3 [=] C2H5 + CO + H
4.900000E+11
-0.5
0.000000
CH2CHO:1.0 CH3:1
H:1 C2H5:1.0 CO:1
CH2CHO + HO2 [=] CH2O + HCO + OH
7.000000E+09
0.0
0.000000
CH2CHO:1.0 HO2:1
CH2O:1.0 HCO:1 OH:1
CH2CHO + HO2 [=] CH3CHO + O2
3.000000E+09
0.0
0.000000
CH2CHO:1.0 HO2:1
CH3CHO:1.0 O2:1
CH2CHO [=] CH3 + CO
1.170000E+43
-9.8
43799.950000
CH2CHO:1.0
CH3:1.0 CO:1
CH3CHO [=] CH3 + HCO
7.000000E+15
0.0
81700.050000
CH3CHO:1.0
CH3:1.0 HCO:1
CH3CO (+ M) [=] CH3 + CO (+ M)
3.000000E+12
0.0
16700.050000
1.200000E+12
0.0
12500.000000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
1 1 1e+07 1e+07
CH3CO:1.0
CH3:1.0 CO:1
CH3CHO + OH [=] CH3CO + H2O
3.370000E+09
0.0
-619.980000
CH3CHO:1.0 OH:1
H2O:1 CH3CO:1.0
CH3CHO + OH [=] CH2CHO + H2O
3.370000E+08
0.0
-619.980000
CH3CHO:1.0 OH:1
CH2CHO:1.0 H2O:1
CH3CHO + O [=] CH3CO + OH
1.770000E+15
-1.9
2979.920000
CH3CHO:1.0 O:1
CH3CO:1.0 OH:1
CH3CHO + O [=] CH2CHO + OH
3.720000E+10
-0.2
3559.990000
CH3CHO:1.0 O:1
CH2CHO:1.0 OH:1
CH3CHO + H [=] CH3CO + H2
4.660000E+10
-0.3
2989.960000
H:1 CH3CHO:1.0
H2:1 CH3CO:1.0
CH3CHO + H [=] CH2CHO + H2
1.850000E+09
0.4
5359.940000
H:1 CH3CHO:1.0
H2:1 CH2CHO:1.0
CH3CHO + CH3 [=] CH3CO + CH4
3.900000E-10
5.8
2200.050000
CH3CHO:1.0 CH3:1
CH3CO:1.0 CH4:1
CH3CHO + CH3 [=] CH2CHO + CH4
2.450000E-02
3.1
5729.920000
CH3CHO:1.0 CH3:1
CH2CHO:1.0 CH4:1
CH3CHO + HO2 [=] CH3CO + H2O2
3.600000E+16
-2.2
14000.000000
CH3CHO:1.0 HO2:1
CH3CO:1.0 H2O2:1
CH3CHO + HO2 [=] CH2CHO + H2O2
2.320000E+08
0.4
14900.100000
CH3CHO:1.0 HO2:1
CH2CHO:1.0 H2O2:1
CH3CHO + O2 [=] CH3CO + HO2
1.000000E+11
0.0
42200.050000
CH3CHO:1.0 O2:1
CH3CO:1.0 HO2:1
C2H5OH (+ M) [=] CH3 + CH2OH (+ M)
5.000000E+15
0.0
82000.000000
3.000000E+13
0.0
58000.000000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
0.5 1e-30 1e+30
C2H5OH:1.0
CH2OH:1 CH3:1.0
C2H5OH (+ M) [=] C2H4 + H2O (+ M)
8.000000E+13
0.0
65000.000000
1.000000E+14
0.0
54000.000000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
0.5 1e-30 1e+30
C2H5OH:1.0
H2O:1 C2H4:1.0
C2H5OH + OH [=] CH2CH2OH + H2O
1.810000E+08
0.4
717.020000
C2H5OH:1.0 OH:1
H2O:1 CH2CH2OH:1.0
C2H5OH + OH [=] CH3CHOH + H2O
3.090000E+07
0.5
-380.020000
C2H5OH:1.0 OH:1
H2O:1 CH3CHOH:1.0
C2H5OH + OH [=] CH3CH2O + H2O
1.050000E+07
0.8
717.020000
C2H5OH:1.0 OH:1
H2O:1 CH3CH2O:1.0
C2H5OH + H [=] CH2CH2OH + H2
1.900000E+04
1.8
5099.900000
C2H5OH:1.0 H:1
H2:1 CH2CH2OH:1.0
C2H5OH + H [=] CH3CHOH + H2
2.580000E+04
1.6
2830.070000
C2H5OH:1.0 H:1
H2:1 CH3CHOH:1.0
C2H5OH + H [=] CH3CH2O + H2
1.500000E+04
1.6
3039.910000
C2H5OH:1.0 H:1
H2:1 CH3CH2O:1.0
C2H5OH + O [=] CH2CH2OH + OH
9.410000E+04
1.7
5460.090000
C2H5OH:1.0 O:1
CH2CH2OH:1.0 OH:1
C2H5OH + O [=] CH3CHOH + OH
1.880000E+04
1.9
1820.030000
C2H5OH:1.0 O:1
CH3CHOH:1.0 OH:1
C2H5OH + O [=] CH3CH2O + OH
1.580000E+04
2.0
4450.050000
C2H5OH:1.0 O:1
CH3CH2O:1.0 OH:1
C2H5OH + CH3 [=] CH2CH2OH + CH4
2.190000E-01
3.2
9619.980000
C2H5OH:1.0 CH3:1
CH2CH2OH:1.0 CH4:1
C2H5OH + CH3 [=] CH3CHOH + CH4
7.280000E-01
3.0
7950.050000
C2H5OH:1.0 CH3:1
CH3CHOH:1.0 CH4:1
C2H5OH + CH3 [=] CH3CH2O + CH4
1.450000E-01
3.0
7650.100000
C2H5OH:1.0 CH3:1
CH3CH2O:1.0 CH4:1
C2H5OH + HO2 [=] CH3CHOH + H2O2
8.200000E+00
2.5
10799.950000
C2H5OH:1.0 HO2:1
CH3CHOH:1.0 H2O2:1
C2H5OH + HO2 [=] CH2CH2OH + H2O2
2.430000E+01
2.5
15799.950000
C2H5OH:1.0 HO2:1
CH2CH2OH:1.0 H2O2:1
C2H5OH + HO2 [=] CH3CH2O + H2O2
3.800000E+09
0.0
24000.000000
C2H5OH:1.0 HO2:1
CH3CH2O:1.0 H2O2:1
C2H4 + OH [=] CH2CH2OH
2.410000E+08
0.0
-2380.020000
C2H4:1.0 OH:1
CH2CH2OH:1.0
C2H5 + HO2 [=] CH3CH2O + OH
4.000000E+10
0.0
0.000000
C2H5:1.0 HO2:1
CH3CH2O:1.0 OH:1
CH3CH2O + M [=] CH3CHO + H + M
5.600000E+31
-5.9
25299.950000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
CH3CH2O:1.0
H:1 CH3CHO:1.0
CH3CH2O + M [=] CH3 + CH2O + M
5.350000E+34
-7.0
23799.950000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
CH3CH2O:1.0
CH2O:1 CH3:1.0
CH3CH2O + O2 [=] CH3CHO + HO2
4.000000E+07
0.0
1099.900000
CH3CH2O:1.0 O2:1
CH3CHO:1.0 HO2:1
CH3CH2O + CO [=] C2H5 + CO2
4.680000E-01
3.2
5380.020000
CH3CH2O:1.0 CO:1
C2H5:1.0 CO2:1
CH3CH2O + H [=] CH3 + CH2OH
3.000000E+10
0.0
0.000000
H:1 CH3CH2O:1.0
CH2OH:1 CH3:1.0
CH3CH2O + H [=] C2H4 + H2O
3.000000E+10
0.0
0.000000
H:1 CH3CH2O:1.0
H2O:1 C2H4:1.0
CH3CH2O + OH [=] CH3CHO + H2O
1.000000E+10
0.0
0.000000
CH3CH2O:1.0 OH:1
CH3CHO:1.0 H2O:1
CH3CHOH + O2 [=] CH3CHO + HO2
4.820000E+10
0.0
5020.080000
CH3CHOH:1.0 O2:1
CH3CHO:1.0 HO2:1
CH3CHOH + O [=] CH3CHO + OH
1.000000E+11
0.0
0.000000
CH3CHOH:1.0 O:1
CH3CHO:1.0 OH:1
CH3CHOH + H [=] C2H4 + H2O
3.000000E+10
0.0
0.000000
H:1 CH3CHOH:1.0
H2O:1 C2H4:1.0
CH3CHOH + H [=] CH3 + CH2OH
3.000000E+10
0.0
0.000000
H:1 CH3CHOH:1.0
CH2OH:1 CH3:1.0
CH3CHOH + HO2 [=] CH3CHO + 2 OH
4.000000E+10
0.0
0.000000
CH3CHOH:1.0 HO2:1
CH3CHO:1.0 OH:2.0
CH3CHOH + OH [=] CH3CHO + H2O
5.000000E+09
0.0
0.000000
CH3CHOH:1.0 OH:1
CH3CHO:1.0 H2O:1
CH3CHOH + M [=] CH3CHO + H + M
1.000000E+11
0.0
25000.000000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0
CH3CHOH:1.0
H:1 CH3CHO:1.0
C3H4 + O [=] C2H4 + CO
2.000000E+04
1.8
1000.000000
C3H4:1.0 O:1
C2H4:1.0 CO:1
CH3 + C2H2 [=] C3H4 + H
2.560000E+06
1.1
13643.880000
CH3:1.0 C2H2:1
H:1 C3H4:1.0
C3H4 + O [=] HCCO + CH3
7.300000E+09
0.0
2250.000000
C3H4:1.0 O:1
CH3:1 HCCO:1.0
C3H3 + H (+ M) [=] C3H4 (+ M)
3.000000E+10
0.0
0.000000
9.000000E+09
1.0
0.000000
0.5 1e+30 1e-30
H:1 C3H3:1.0
C3H4:1.0
C3H3 + HO2 [=] C3H4 + O2
2.500000E+09
0.0
0.000000
HO2:1 C3H3:1.0
C3H4:1.0 O2:1
C3H4 + OH [=] C3H3 + H2O
5.300000E+03
2.0
2000.000000
C3H4:1.0 OH:1
H2O:1 C3H3:1.0
C3H3 + O2 [=] CH2CO + HCO
3.000000E+07
0.0
2868.070000
C3H3:1.0 O2:1
CH2CO:1.0 HCO:1
C3H4 + H (+ M) [=] C3H5 (+ M)
4.000000E+10
0.0
0.000000
3.000000E+18
-2.0
0.000000
0.8 1e+30 1e-30
H:1 C3H4:1.0
C3H5:1.0
C3H5 + H [=] C3H4 + H2
1.800000E+10
0.0
0.000000
H:1 C3H5:1.0
H2:1 C3H4:1.0
C3H5 + O2 [=] C3H4 + HO2
4.990000E+12
-1.4
22428.060000
C3H5:1.0 O2:1
C3H4:1.0 HO2:1
C3H5 + CH3 [=] C3H4 + CH4
3.000000E+09
-0.32
-130.980000
CH3:1 C3H5:1.0
C3H4:1.0 CH4:1
C2H2 + CH3 (+ M) [=] C3H5 (+ M)
6.000000E+05
0.0
0.000000
2.000000E+03
1.0
0.000000
0.5 1e+30 1e-30
CH3:1 C2H2:1.0
C3H5:1.0
C3H5 + OH [=] C3H4 + H2O
6.000000E+09
0.0
0.000000
C3H5:1.0 OH:1
C3H4:1.0 H2O:1
C3H3 + HCO [=] C3H4 + CO
2.500000E+10
0.0
0.000000
C3H3:1.0 HCO:1
C3H4:1.0 CO:1
C3H3 + HO2 [=] OH + CO + C2H3
8.000000E+08
0.0
0.000000
HO2:1 C3H3:1.0
C2H3:1 CO:1 OH:1.0
C3H4 + O2 [=] CH3 + HCO + CO
4.000000E+11
0.0
41826.000000
C3H4:1.0 O2:1
CH3:1.0 CO:1 HCO:1
C3H6 + O [=] C2H5 + HCO
3.500000E+04
1.65
-972.750000
C3H6:1.0 O:1
C2H5:1.0 HCO:1
C3H6 + OH [=] C3H5 + H2O
3.100000E+03
2.0
-298.280000
C3H6:1.0 OH:1
H2O:1 C3H5:1.0
C3H6 + O [=] CH2CO + CH3 + H
1.200000E+05
1.65
327.440000
C3H6:1.0 O:1
H:1 CH2CO:1.0 CH3:1
C3H6 + H [=] C3H5 + H2
1.700000E+02
2.5
2492.830000
C3H6:1.0 H:1
H2:1 C3H5:1.0
C3H5 + H (+ M) [=] C3H6 (+ M)
2.000000E+11
0.0
0.000000
1.330000E+54
-12.0
5967.970000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0 C2H6:3.0
0.02 1097 1097 6860
H:1 C3H5:1.0
C3H6:1.0
C3H5 + HO2 [=] C3H6 + O2
2.660000E+09
0.0
0.000000
C3H5:1.0 HO2:1
C3H6:1.0 O2:1
C3H5 + HO2 [=] OH + C2H3 + CH2O
3.000000E+09
0.0
0.000000
C3H5:1.0 HO2:1
CH2O:1 C2H3:1 OH:1.0
C2H3 + CH3 (+ M) [=] C3H6 (+ M)
2.500000E+10
0.0
0.000000
4.270000E+52
-11.94
9770.550000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0 C2H6:3.0
0.175 1341 60000 10140
CH3:1 C2H3:1.0
C3H6:1.0
C3H6 + H [=] C2H4 + CH3
1.600000E+19
-2.39
11185.470000
C3H6:1.0 H:1
CH3:1 C2H4:1.0
CH3 + C2H3 [=] C3H5 + H
1.500000E+21
-2.83
18618.550000
CH3:1.0 C2H3:1
H:1 C3H5:1.0
C3H8 (+ M) [=] CH3 + C2H5 (+ M)
1.100000E+17
0.0
84392.930000
7.830000E+15
0.0
64978.010000
0.76 1900 38
C3H8:1.0
C2H5:1 CH3:1.0
C3H8 + O2 [=] I-C3H7 + HO2
4.000000E+10
0.0
47500.000000
O2:1 C3H8:1.0
I-C3H7:1.0 HO2:1
C3H8 + O2 [=] N-C3H7 + HO2
4.000000E+10
0.0
50932.120000
O2:1 C3H8:1.0
N-C3H7:1.0 HO2:1
C3H8 + H [=] I-C3H7 + H2
1.300000E+03
2.4
4471.080000
H:1 C3H8:1.0
H2:1 I-C3H7:1.0
C3H8 + H [=] N-C3H7 + H2
1.330000E+03
2.54
6761.470000
H:1 C3H8:1.0
N-C3H7:1.0 H2:1
C3H8 + O [=] I-C3H7 + OH
4.760000E+01
2.71
2107.310000
O:1 C3H8:1.0
I-C3H7:1.0 OH:1
C3H8 + O [=] N-C3H7 + OH
1.900000E+02
2.68
3718.450000
O:1 C3H8:1.0
N-C3H7:1.0 OH:1
C3H8 + OH [=] N-C3H7 + H2O
1.000000E+07
1.0
1599.900000
C3H8:1.0 OH:1
N-C3H7:1.0 H2O:1
C3H8 + OH [=] I-C3H7 + H2O
2.000000E+04
-1.6
-99.900000
C3H8:1.0 OH:1
I-C3H7:1.0 H2O:1
C3H8 + HO2 [=] I-C3H7 + H2O2
9.640000E+00
2.6
13917.300000
HO2:1 C3H8:1.0
I-C3H7:1.0 H2O2:1
C3H8 + HO2 [=] N-C3H7 + H2O2
4.760000E+01
2.55
16491.400000
HO2:1 C3H8:1.0
N-C3H7:1.0 H2O2:1
I-C3H7 + C3H8 [=] N-C3H7 + C3H8
8.400000E-06
4.2
8675.910000
I-C3H7:1.0 C3H8:1
N-C3H7:1.0 C3H8:1
C3H6 + H (+ M) [=] I-C3H7 (+ M)
1.330000E+10
0.0
1560.710000
8.700000E+36
-7.5
4732.310000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0 C2H6:3.0
1 1000 645.4 6844
C3H6:1.0 H:1
I-C3H7:1.0
I-C3H7 + O2 [=] C3H6 + HO2
1.300000E+08
0.0
0.000000
I-C3H7:1.0 O2:1
C3H6:1.0 HO2:1
N-C3H7 (+ M) [=] CH3 + C2H4 (+ M)
1.230000E+13
-0.1
30210.330000
5.490000E+46
-10.0
35778.920000
-1.17 251 1e-15 1185
N-C3H7:1.0
CH3:1.0 C2H4:1
H + C3H6 (+ M) [=] N-C3H7 (+ M)
1.330000E+10
0.0
3260.040000
6.260000E+32
-6.66
7000.480000
CO2:2.0 CO:1.5 H2:2.0 H2O:6.0 AR:0.7 CH4:2.0 C2H6:3.0
1 1000 1310 48100
C3H6:1 H:1.0
N-C3H7:1.0
N-C3H7 + O2 [=] C3H6 + HO2
3.500000E+13
-1.6
3500.000000
N-C3H7:1.0 O2:1
C3H6:1.0 HO2:1
N-C3H7 + O2 [=] C3H6OOH
2.000000E+09
0.0
0.000000
N-C3H7:1.0 O2:1
C3H6OOH:1.0
C3H6OOH [=] C3H6 + HO2
2.500000E+35
-8.3
22000.000000
C3H6OOH:1.0
C3H6:1.0 HO2:1
C3H6OOH + O2 [=] OC3H5OOH + OH
1.500000E+05
0.0
-7000.000000
C3H6OOH:1.0 O2:1
OC3H5OOH:1.0 OH:1
OC3H5OOH [=] CH2CHO + CH2O + OH
1.000000E+15
0.0
43000.000000
OC3H5OOH:1.0
CH2O:1 CH2CHO:1.0 OH:1
C4H10 (+ M) [=] 2 C2H5 (+ M)
2.720000E+15
0.0
75609.940000
4.720000E+15
0.0
49580.070000
0.72 1500 1e-10 1e+10
C4H10:1.0
C2H5:2.0
C4H10 + O2 [=] PC4H9 + HO2
6.000000E+10
0.0
52340.110000
C4H10:1.0 O2:1
PC4H9:1.0 HO2:1
C4H10 + O2 [=] SC4H9 + HO2
4.000000E+10
0.0
49799.950000
C4H10:1.0 O2:1
HO2:1 SC4H9:1.0
C4H10 + HO2 [=] PC4H9 + H2O2
4.080000E-02
3.59
17159.890000
C4H10:1.0 HO2:1
PC4H9:1.0 H2O2:1
C4H10 + HO2 [=] SC4H9 + H2O2
1.264000E-01
3.37
13719.890000
C4H10:1.0 HO2:1
H2O2:1 SC4H9:1.0
C4H10 + O [=] PC4H9 + OH
1.130000E+11
0.0
7850.000000
C4H10:1.0 O:1
PC4H9:1.0 OH:1
C4H10 + O [=] SC4H9 + OH
5.620000E+10
0.0
5200.000000
C4H10:1.0 O:1
SC4H9:1.0 OH:1
C4H10 + OH [=] PC4H9 + H2O
1.054000E+07
0.97
1586.040000
C4H10:1.0 OH:1
PC4H9:1.0 H2O:1
C4H10 + OH [=] SC4H9 + H2O
9.340000E+04
1.61
-34.890000
C4H10:1.0 OH:1
H2O:1 SC4H9:1.0
C4H10 + H [=] H2 + PC4H9
2.800000E+03
2.54
6965.400000
C4H10:1.0 H:1
H2:1.0 PC4H9:1
C4H10 + H [=] H2 + SC4H9
1.690000E+03
2.4
4493.000000
C4H10:1.0 H:1
H2:1.0 SC4H9:1
PC4H9 [=] C2H5 + C2H4
3.504000E+12
0.463
29469.890000
PC4H9:1.0
C2H5:1.0 C2H4:1
SC4H9 [=] C3H6 + CH3
4.803000E+10
1.044
30349.900000
SC4H9:1.0
C3H6:1.0 CH3:1
C4H8 [=] C3H5 + CH3
1.000000E+16
0.0
72896.750000
C4H8:1.0
CH3:1 C3H5:1.0
C4H8 + H [=] H2 + C2H3 + C2H4
6.600000E+02
2.54
6763.860000
C4H8:1.0 H:1
H2:1.0 C2H4:1 C2H3:1
SC4H9 + O2 [=] SC4H9O2
7.500000E+09
0.0
0.000000
O2:1 SC4H9:1.0
SC4H9O2:1.0
SC4H9O2 [=] C4H8 + HO2
5.075000E+42
-9.41
41490.000000
SC4H9O2:1.0
C4H8:1.0 HO2:1
PC4H9 + O2 [=] C4H8 + HO2
8.370000E-04
3.59
12000.000000
PC4H9:1.0 O2:1
C4H8:1.0 HO2:1
PC4H9 + O2 [=] C4H8OOH1-3
2.000000E+09
0.0
0.000000
PC4H9:1.0 O2:1
C4H8OOH1-3:1.0
C4H8OOH1-3 [=] C4H8 + HO2
2.000000E+12
0.0
24000.000000
C4H8OOH1-3:1.0
C4H8:1.0 HO2:1
C4H8OOH1-3 + O2 [=] NC4KET13 + OH
3.500000E-03
2.234
-16560.000000
C4H8OOH1-3:1.0 O2:1
NC4KET13:1.0 OH:1
NC4KET13 [=] N-C3H7 + CO2 + OH
3.000000E+16
0.0
41500.000000
NC4KET13:1.0
N-C3H7:1.0 CO2:1 OH:1