research/reaction-mechanisms
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

corrected missing enthalpy of formation

Browse source
This commit is contained in:
Yeongdo Park 2018-12-05 08:56:30 -05:00
parent cc14430877
commit cfcc09900a
1 changed files with 23 additions and 24 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

47
GRI30-Prager/alpha-Han.txt
View file

@ -128,29 +128,29 @@ C4H72?2 7.617 4 7 0 0 0.00 0. 0.
C4H8?1 7.351 4 8 0 0 9.55 0. 0.
C4H8?2 7.367 4 8 0 0 9.10 0. 0.
IC4H8 7.347 4 8 0 0 9.22
IC4H9 7.485 4 9 0 0 7.25
TC4H9 7.369 4 9 0 0 7.93
C4H4O 6.437 4 4 1 0 8.88
C2H5CHCO 7.907 4 6 1 0 9.75
SC3H5CHO 7.762 4 6 1 0 9.75
CH2CHOCHCH2 7.841 4 6 1 0 8.68
C4H6O 6.951 4 6 1 0 9.16
C4H8O1?2 7.625 4 8 1 0 9.71
C4H8O1?3 7.567 4 8 1 0 9.52
C4H8O1?4 8.215 4 8 1 0 8.98
C4H8O2?3 7.343 4 8 1 0 8.64
C4H4O2 7.389 4 4 2 0 9.60
C4H6O2 8.080 4 6 2 0 0.00
CHOCH2CH2CH3 7.619 4 8 1 0 9.82
IC4H7OOH 8.003 4 8 2 0 9.19
TC3H6OHCHO 8.003 4 8 2 0 10.01
IC4H9O2H 8.711 4 10 2 0 9.65
TC4H9O2H 8.477 4 10 2 0 9.30
C5H5 7.635 5 5 0 0 0.00
C5H6 8.607 5 6 0 0 9.25
C5H7 9.458 5 7 0 0 7.25
C5H8 9.288 5 8 0 0 8.86
IC4H8 7.347 4 8 0 0 9.22 0. 0.
IC4H9 7.485 4 9 0 0 7.25 0. 0.
TC4H9 7.369 4 9 0 0 7.93 0. 0.
C4H4O 6.437 4 4 1 0 8.88 0. 0.
C2H5CHCO 7.907 4 6 1 0 9.75 0. 0.
SC3H5CHO 7.762 4 6 1 0 9.75 0. 0.
CH2CHOCHCH2 7.841 4 6 1 0 8.68 0. 0.
C4H6O 6.951 4 6 1 0 9.16 0. 0.
C4H8O1?2 7.625 4 8 1 0 9.71 0. 0.
C4H8O1?3 7.567 4 8 1 0 9.52 0. 0.
C4H8O1?4 8.215 4 8 1 0 8.98 0. 0.
C4H8O2?3 7.343 4 8 1 0 8.64 0. 0.
C4H4O2 7.389 4 4 2 0 9.60 0. 0.
C4H6O2 8.080 4 6 2 0 0.00 0. 0.
CHOCH2CH2CH3 7.619 4 8 1 0 9.82 0. 0.
IC4H7OOH 8.003 4 8 2 0 9.19 0. 0.
TC3H6OHCHO 8.003 4 8 2 0 10.01 0. 0.
IC4H9O2H 8.711 4 10 2 0 9.65 0. 0.
TC4H9O2H 8.477 4 10 2 0 9.30 0. 0.
C5H5 7.635 5 5 0 0 0.00 0. 0.
C5H6 8.607 5 6 0 0 9.25 0. 0.
C5H7 9.458 5 7 0 0 7.25 0. 0.
C5H8 9.288 5 8 0 0 8.86 0. 0.
C5H6O 8.733 5 6 1 0 8.38 0. 0.
C5H4O2 9.172 5 4 2 0 9.22 0. 0.
@ -270,4 +270,3 @@ CO3- 2.677 1 0 3 0 2.69 0. 0.
CHO2- 3.345 1 1 2 0 3.50 0. 0.
CHO3- 3.712 1 1 3 0 3.69 0. 0.
O- 1.424 0 0 1 0 1.46 0. 0.