2.3. Standard State Enthalpies and Entropies at 298 K

Table 2.4: Standard State Enthalpies and Entropies at 298 K contains the standard state enthalpies and entropies for 778 species that are in the thermodynamic database file, therm.dat (see Figure 2.1: Excerpts from the therm.dat Thermodynamic Database File and Table 2.1: Summary of the Rules for Thermodynamic Data for the data and formats), which is included with all Ansys Chemkin installs. The values in the table were determined by evaluating the polynomial expressions (Equation 2–3 and Equation 2–4 of the Chemkin Theory Manual) at the standard temperature of 298 K. Note the measured or derived data for and that were used in generating the coefficients in therm.dat are also included in Table 2.4: Standard State Enthalpies and Entropies at 298 K for comparison.

(2–3)

(2–4)

The units for enthalpies are (kcal)/mole and for entropies cal/(mole ⋅ K). The entries in Table 2.4: Standard State Enthalpies and Entropies at 298 K correspond to the therm.dat distributed with Ansys Chemkin.

Table 2.4: Standard State Enthalpies and Entropies at 298 K

Species
	Data	Fit	Data	Fit
(CH2O)3	−110.70	−110.71	69.42	69.38
(CH3)2SICH2	12.30	12.37	80.37	82.41
AL	78.80	78.80	39.30	39.30
AL2H6	21.35	21.35	62.75	62.75
AL2ME6	−61.20	−61.20	131.05	131.06
ALAS	107.33	107.32	60.65	60.65
ALH	62.00	62.00	44.88	44.87
ALH2	41.95	41.95	54.40	54.40
ALH3	18.83	18.83	52.30	52.30
ALME	19.75	19.75	60.68	60.68
ALME2	12.75	12.75	77.40	77.40
ALME3	−20.30	−20.30	83.68	83.68
AR	0.00	0.00	36.98	36.98
AR+	364.91	364.91	39.75	39.74
AS	75.48	75.48	43.53	43.52
AS2	47.08	47.08	59.83	59.83
AS3	65.35	65.35	77.53	77.53
AS4	37.13	37.13	78.45	78.45
ASALME	70.00	70.00	81.60	81.60
ASALME2	63.25	63.25	91.00	91.00
ASGAET	82.75	82.75	95.20	95.20
ASGAET2	69.55	69.55	109.83	109.83
ASGAME	83.50	83.50	85.75	85.75
ASGAME2	81.25	81.25	91.00	91.00
ASGAMEH	93.75	93.75	84.73	84.73
ASH	61.75	61.75	50.20	50.20
ASH2	42.25	42.25	46.45	46.45
ASH3	16.63	16.63	55.65	55.65
ASME	59.20	59.20	63.80	63.80
ASME2	34.20	34.20	79.50	79.50
ASME3	2.93	2.93	85.78	85.78
B	133.80	133.80	36.65	36.64
B(S)	0.00	0.00	1.41	1.41
BCL	33.80	33.80	50.94	50.94
BCL2	−19.00	−19.00	65.14	65.15
BCL3	−96.31	−96.31	69.33	69.33
BE	78.25	78.25	32.54	32.54
BE(S)	0.00	0.00	2.28	2.28
BE2SIO4(S)	−506.03	−506.03	15.34	15.33
BE3B2O6(S)	−741.96	−741.96	24.00	23.97
BE3N2(A)	−140.60	−140.60	8.16	8.15
BE3N2(L)	−116.40	−116.41	9.43	9.41
BEAL2O4(S)	−549.90	−549.90	15.84	15.84
BEB2O4	−323.00	−323.00	78.08	78.08
BEBO2	−115.20	−115.20	63.40	63.41
BEBR	28.71	28.71	54.59	54.59
BEBR2	−54.80	−54.80	65.44	65.44
BEBR2(S)	−85.00	−85.00	24.00	23.99
BECL	14.50	14.50	51.98	51.98
BECL2	−86.10	−86.10	60.26	60.26
BECL2(A)	−117.34	−117.34	19.76	19.75
BECL2(B)	−118.60	−118.60	18.12	18.11
BECLF	−137.00	−137.00	58.89	58.89
BEF	−40.60	−40.60	49.15	49.14
BEF2	−190.25	−190.25	54.36	54.36
BEF2(L)	−244.27	−244.28	14.32	14.32
BEH	76.77	76.77	42.24	42.23
BEH+	276.40	276.40	40.76	40.75
BEH2	30.00	30.00	41.35	41.33
BEH2O2	−161.70	−161.70	55.89	55.91
BEH2O2(A)	−215.80	−215.81	12.80	12.78
BEH2O2(B)	−216.50	−216.51	12.00	11.98
BEI	40.63	40.63	56.69	56.69
BEI2	−15.30	−15.30	69.65	69.65
BEI2(S)	−45.10	−45.11	28.80	28.78
BEN	101.98	101.98	49.87	49.87
BEO(A)	−145.40	−145.39	3.29	3.31
BEO(B)	−143.80	−143.79	3.97	3.99
BEOH	−27.40	−27.40	50.07	50.07
BES(S)	−56.00	−56.00	8.85	8.84
BESO4(A)	−287.00	−287.01	18.64	18.60
BESO4(B)	−286.73	−286.75	18.94	18.91
BESO4(GAM)	−282.06	−282.07	24.09	24.06
BN	−59.97	−59.97	3.54	3.53
C	171.29	171.29	37.76	37.76
C(S)	0.00	0.00	1.37	1.37
C+	432.47	432.02	36.94	36.93
C−	140.61	140.61	36.16	36.16
C2	200.22	200.23	47.63	47.63
C2−	106.00	106.00	46.96	46.96
C2CL3	54.37	54.36	79.93	79.89
C2CL5	7.38	7.39	94.52	94.75
C2CL6	−32.43	−32.44	93.15	93.04
C2F6	−321.20	−321.20	79.37	79.38
C2H	135.00	135.00	51.10	49.55
C2H2	54.19	54.19	48.00	48.01
C2H3	0.00	68.41	0.00	55.32
C2H4	12.54	12.54	52.40	52.37
C2H5	0.00	28.01	0.00	60.13
C2H6	0.00	−20.04	0.00	54.72
C2HCL	51.10	51.10	57.81	57.82
C2HCL5	−35.19	−35.19	91.61	91.51
C2N	133.00	133.00	55.16	55.16
C2N2	73.87	73.87	57.71	57.72
C2O	68.50	68.50	55.68	55.67
C3	196.00	196.00	56.68	56.66
C3H2	129.39	129.60	62.01	64.81
C3H2(S)	141.43	141.43	59.74	59.75
C3H4	47.67	47.63	57.99	57.94
C3H4C	67.99	68.00	57.94	57.95
C3H4P	45.77	45.77	58.89	58.89
C3H6	0.00	4.89	0.00	61.51
C3H8	0.00	−24.82	0.00	64.56
C3O2	−22.38	−22.38	65.96	65.96
C4	232.00	232.00	54.54	54.55
C4H	0.00	155.08	0.00	60.89
C4H10	−32.02	−31.84	70.94	71.79
C4H2	0.00	111.70	0.00	59.77
C4H6	0.00	34.96	0.00	68.16
C4H8	0.00	−0.13	0.00	73.55
C5	234.00	234.01	57.81	57.82
C5H	0.00	185.99	0.00	62.20
C5H12	0.00	−34.98	0.00	83.48
C5H2	0.00	165.23	0.00	63.69
C5H5	63.83	63.84	68.10	68.13
C5H6	0.00	31.99	0.00	64.45
C6H	0.00	213.15	0.00	74.10
C6H10	0.00	−1.00	0.00	74.75
C6H14	0.00	−39.91	0.00	92.87
C6H2	0.00	169.66	0.00	70.92
C6H3	0.00	158.45	0.00	76.30
C6H4	99.66	99.67	68.25	68.26
C6H5	79.42	79.43	69.81	69.82
C6H5(L)	140.58	140.58	83.39	84.26
C6H5O	10.34	10.35	74.86	74.87
C6H5OH	−25.13	−25.01	76.96	76.93
C6H6	0.00	19.81	0.00	64.35
C6H7	47.94	47.96	73.07	73.07
C8H	0.00	288.86	0.00	78.39
C8H2	0.00	226.15	0.00	75.94
CA	42.85	42.85	36.99	36.98
CA(A)	0.00	0.00	9.93	9.93
CA(B)	0.12	0.12	10.15	10.15
CA(L)	2.61	2.60	12.11	12.10
CA+	185.30	185.30	38.37	38.37
CA2	82.66	82.66	61.29	61.29
CABR	−11.81	−11.81	60.42	60.41
CABR2	−92.00	−92.00	75.20	75.20
CABR2(S)	−163.30	−163.30	31.00	30.99
CACL	−25.00	−25.00	57.71	57.71
CACL2	−112.70	−112.70	69.35	69.35
CACL2(S)	−190.20	−190.20	25.00	24.99
CAF	−65.00	−65.00	54.86	54.86
CAF2	−187.50	−187.50	65.41	65.42
CAH2O2	−145.98	−145.97	68.23	68.25
CAH2O2(S)	−235.68	−235.68	19.93	19.93
CAI	−1.21	−1.21	62.43	62.42
CAI2	−61.70	−61.70	78.26	78.26
CAO	10.50	10.50	52.49	52.52
CAO(S)	−151.79	−151.79	9.13	9.15
CAOH	−46.34	−46.34	56.25	56.26
CAOH+	88.21	88.21	54.92	54.93
CAS	29.54	29.52	55.56	55.55
CCL	106.10	106.10	52.46	52.45
CCL2	53.02	53.02	63.29	63.28
CCL2CCLO	−24.27	−24.27	85.06	84.97
CCL2CCLOH	−44.66	−44.69	83.09	82.88
CCL2CH	62.30	62.29	71.95	71.93
CCL2HOO	−1.37	−1.33	78.30	79.17
CCL2OHCH2	−22.77	−22.60	79.91	80.63
CCL2OHCHCL	−31.69	−31.54	87.57	89.10
CCL3	16.58	16.58	72.20	72.20
CCL3CCLH2	−35.29	−35.28	85.57	85.59
CCL3CCLO	−56.49	−56.47	89.99	90.43
CCL3CH2	18.79	18.89	81.61	82.80
CCL3CHCL	11.06	11.09	88.40	89.03
CCL3CHO	−45.51	−45.47	83.71	85.04
CCL3OO	−0.74	−0.71	83.14	83.46
CCL4	−20.22	−20.22	78.91	78.91
CCLH2OO	1.22	1.27	71.06	71.68
CH	142.00	142.00	43.72	43.71
CH+	388.80	388.80	41.00	41.00
CH2	92.48	92.48	46.72	46.71
CH2(S)	101.50	101.50	45.10	45.10
CH2CCL	61.43	61.39	64.24	64.15
CH2CCL2	0.75	0.71	68.84	68.76
CH2CCLOH	−37.01	−36.94	69.00	69.35
CH2CHCCH	69.14	69.14	66.49	67.33
CH2CHCCH2	74.11	74.14	74.70	75.31
CH2CHCH2	38.70	38.64	64.39	64.73
CH2CHCHCH	86.13	86.09	72.75	73.06
CH2CHCHCH2	28.33	28.29	69.74	70.44
CH2CHCL	4.69	4.67	63.03	62.98
CH2CL	27.08	27.07	59.28	59.28
CH2CL2	−22.83	−22.83	64.57	64.57
CH2CLCCL2	6.02	6.05	82.70	83.32
CH2CLCCLO	−58.33	−58.30	77.51	78.10
CH2CLCH2	23.00	23.10	68.36	69.46
CH2CLCH2CL	−32.35	−32.33	72.20	72.45
CH2CLCHCL	13.10	13.14	75.92	76.80
CH2CLCHCL2	−35.23	−35.22	80.05	80.12
CH2CLCHO	−41.67	−41.66	72.11	74.04
CH2CO	0.00	−12.40	0.00	57.78
CH2F2	−107.71	−107.71	58.94	58.91
CH2HCO	0.00	6.00	0.00	63.99
CH2O	−27.70	−27.70	52.26	52.24
CH2OH	−4.21	−4.10	58.93	58.87
CH2OHCCL2	−23.26	−23.21	82.18	82.65
CH2OHCHCL	−16.90	−16.79	74.35	74.94
CH2SICL	45.68	45.67	69.39	69.33
CH2SICL3	−87.71	−87.71	90.16	91.94
CH2SIH2CL	−0.90	−0.87	74.23	75.92
CH2SIHCL2	−44.67	−44.67	83.30	85.08
CH3	34.82	34.82	46.38	46.37
CH3C(O)CL	−56.93	−56.86	70.60	71.87
CH3CC	123.81	123.82	60.28	60.27
CH3CCCH2	74.33	74.34	78.57	80.35
CH3CCCH3	40.92	40.94	71.58	73.36
CH3CCH2	61.04	61.09	69.12	69.24
CH3CCL	61.68	61.73	66.18	67.81
CH3CCL2	10.33	10.42	75.42	76.27
CH3CCL3	−33.55	−33.51	76.48	76.61
CH3CCLO	−56.93	−56.86	70.60	71.87
CH3CH2CCH	44.66	44.75	71.46	71.43
CH3CH2CH2CH3	−30.64	−30.50	72.68	73.31
CH3CH2CL	−27.17	−27.10	66.00	66.33
CH3CH2O	−0.51	−0.44	65.48	65.81
CH3CHCH	64.70	64.75	68.49	68.74
CH3CHCL	18.22	18.30	68.46	69.48
CH3CHCL2	−32.08	−32.02	72.79	73.04
CH3CHOH	−14.34	−14.17	66.73	67.77
CH3CL	−20.00	−20.00	55.99	55.97
CH3CO	0.00	−5.40	0.00	63.73
CH3F	−56.00	−56.00	53.25	53.22
CH3HCO	0.00	−39.51	0.00	63.04
CH3NO	18.88	18.95	62.33	63.46
CH3NO2	−16.83	−16.84	70.26	72.03
CH3O	0.00	3.89	0.00	54.60
CH3OCH3	−43.80	−43.72	63.74	64.35
CH3OCL	−14.06	−13.98	64.97	65.42
CH3OH	0.00	−48.06	0.00	57.27
CH3ONO	−15.30	−15.25	66.63	66.87
CH3ONO2	−26.12	−26.06	71.34	71.63
CH3SICL	−2.47	−2.44	70.99	72.63
CH3SIH2SIH	−10.12	−9.96	88.03	91.66
CH3SIH2SIH2CH3	−10.92	−10.79	88.03	90.60
CH3SIHCL2	−93.81	−93.74	79.61	80.53
CH4	−17.90	−17.90	44.49	44.46
CHCL	80.00	80.00	56.12	56.11
CHCL2	19.51	19.51	65.08	65.08
CHCL2CCL2	8.53	8.53	90.99	92.74
CHCL2CCLO	−57.87	−57.85	84.59	85.22
CHCL2CH2	20.23	20.24	78.03	79.99
CHCL2CHCL	10.32	10.35	82.79	83.54
CHCL2CHCL2	−36.03	−36.02	85.18	85.39
CHCL3	−23.25	−23.25	70.64	70.64
CHCLCCL	55.99	55.98	72.48	72.40
CHCLCCLOH	−43.59	−43.51	76.26	76.42
CHCLCH	64.77	64.81	64.47	64.48
CHCLCHCL	−1.15	−1.15	69.24	69.19
CHCLCHOH	−38.64	−38.56	68.93	69.13
CHCLOH	−16.71	−16.65	65.30	65.41
CHCLOHCH2	−15.20	−15.08	74.53	76.30
CHCLOHCHCL	−24.95	−24.85	82.31	83.81
CHF	30.00	30.00	53.36	53.35
CHF3	−166.60	−166.60	62.03	62.02
CHOHCLCCL2	−31.95	−31.84	88.72	90.27
CHSICL	89.13	89.13	70.30	70.30
CHSICL2	29.60	29.61	81.07	82.86
CHSICL3	−35.28	−35.27	88.41	90.19
CHSIH2CL	50.52	50.55	73.11	74.85
CHSIHCL	67.86	67.93	70.62	72.26
CHSIHCL2	7.19	7.22	80.87	82.62
CL	28.99	28.99	39.45	39.45
CL(CH3)SICH2	−13.11	−13.08	78.44	79.58
CL2	0.00	0.00	53.29	53.29
CL2CCCL2	−5.66	−5.67	81.51	81.41
CL2CCHCL	−3.95	−3.96	77.64	77.54
CL2CCHO	−12.45	−12.46	77.67	77.57
CL2CHOH	−66.56	−66.41	71.53	72.50
CL2CO	−52.70	−52.70	67.64	67.64
CL2COH	−22.80	−22.68	73.07	73.68
CL2HCO	−4.12	−4.12	71.65	71.64
CL2SI(CH3)2	−113.74	−113.59	88.72	90.45
CL2SI(CH3)CH2	−64.26	−64.18	92.21	94.86
CL2SICH2	−34.22	−34.25	75.18	75.10
CL2SICH3	−52.78	−52.71	80.76	81.74
CL2SISI	32.71	32.71	79.88	79.88
CL2SISICL	−24.42	−24.41	92.40	92.46
CL2SISICL2	−95.69	−95.69	102.08	102.02
CL3CCO	1500.00	1500.02	−5.27	87.34
CL3CO	−4.37	−4.37	78.35	78.35
CL3COH	−66.33	−66.23	77.64	79.21
CL3SICH3	−137.81	−137.74	84.47	85.28
CL3SISI	−26.17	−26.17	89.43	89.43
CL3SISICL	−99.56	−99.55	101.49	103.27
CLCCCL	56.20	56.20	64.28	64.28
CLCCO	42.24	42.25	68.92	68.87
CLCH2OH	−55.49	−55.49	69.49	71.45
CLCO	−6.48	−6.48	64.39	64.39
CLCOH	1.17	1.13	62.43	62.37
CLH2CO	−2.35	−2.35	64.42	64.41
CLHCO	−44.30	−44.30	61.80	61.79
CLO	29.20	29.19	53.00	52.99
CLOCL	19.71	19.71	63.65	63.65
CLOO	33.60	33.60	63.54	63.53
CLSI(CH3)2	−26.19	−26.06	82.72	84.80
CLSI(CH3)2CH2	−37.20	−37.04	92.86	96.44
CLSI(CH3)3	−86.29	−86.08	90.84	93.65
CLSICH3	−2.86	−2.82	70.99	72.64
CLSISI	99.11	99.11	71.44	71.44
CLSISICL	33.48	33.48	81.76	81.88
CN	104.00	104.00	48.41	48.40
CN+	430.87	430.87	50.99	50.98
CN−	14.50	14.50	46.81	46.81
CN2	113.00	113.00	54.04	54.03
CNN	139.70	139.70	55.35	55.35
CNO	97.64	97.64	55.57	55.57
CO	−26.42	−26.42	47.21	47.21
CO2	−94.05	−94.05	51.07	51.07
CO2−	−105.50	−105.50	57.49	57.48
COS	−33.08	−33.08	55.32	55.33
CS	67.00	67.00	50.30	50.29
CS2	27.95	27.95	56.85	56.85
CSICL	146.05	146.06	68.07	68.07
CSICL2	89.11	89.11	76.71	76.71
CSICL3	9.05	9.05	86.79	86.79
CSIH2CL	105.85	105.85	69.88	69.88
CSIHCL	119.47	119.47	67.68	67.68
CSIHCL2	63.16	63.16	77.47	77.47
D	52.99	52.99	29.46	29.45
D2	0.00	0.00	34.62	34.62
DH	0.08	0.08	34.34	34.34
DIOXANE	−75.11	−75.12	71.76	71.72
E	0.00	0.00	0.00	4.98
F	18.90	18.90	36.15	36.14
F−	−61.08	−61.08	34.77	34.76
F2	−0.09	−0.09	48.14	48.14
F2N2(C)	16.40	16.40	62.07	62.08
F2O2	14.00	13.99	64.42	64.33
F2SINH	−146.95	−146.93	70.92	70.92
F3SIN	−200.02	−200.02	73.86	73.87
FNNF	17.88	17.88	63.07	63.47
FNO3	2.50	2.50	69.99	69.99
FO	26.00	26.00	51.77	51.76
FO2	3.00	3.00	61.90	61.90
FONO(C)	10.18	10.16	64.43	64.34
FONO(T)	14.13	14.12	64.88	64.79
FSIN	54.37	54.37	63.67	63.67
GA	68.53	68.52	43.83	43.82
GA2H6	31.50	31.50	69.05	69.05
GAAS	88.40	88.40	63.23	63.23
GAAS(3,C)	245.75	245.75	100.00	100.00
GAAS(3,L)	256.25	256.25	127.75	127.75
GAAS(5,C)	357.75	357.75	130.50	130.50
GAAS(5,L)	420.00	420.00	193.50	193.50
GAET	17.75	17.75	81.60	81.60
GAET2	4.50	4.50	100.43	100.43
GAET3	−17.05	−17.05	112.98	112.98
GAH	54.80	54.80	49.18	49.17
GAH2	41.00	41.00	56.00	56.00
GAH3	27.00	27.00	54.50	54.50
GAME	18.53	18.53	63.80	63.80
GAME2	16.42	16.43	80.55	80.55
GAME3	−10.88	−10.87	87.88	87.88
H	52.10	52.09	27.39	27.39
H(CH3)SICH2	26.36	26.39	70.27	71.37
H+	367.17	367.15	26.01	26.01
H−	33.23	33.19	26.02	26.01
H2	0.00	0.00	31.21	31.21
H2ALME	6.00	6.00	61.73	61.73
H2ASME	24.05	24.05	64.85	64.85
H2C4O	54.58	54.59	66.42	66.43
H2CCC	160.67	160.67	61.07	61.07
H2CCC(S)	133.42	133.42	58.50	58.49
H2CCCCCH	128.19	128.19	75.36	75.37
H2CCCCH	111.34	111.32	72.83	72.94
H2CCCCH2	75.53	75.49	64.77	65.12
H2CCCH	83.03	83.04	61.48	61.48
H2CCCLO	−11.53	−11.54	69.74	69.67
H2CCH(SICL2H)	−66.26	−66.22	84.68	85.71
H2CCH2OH	−4.57	−4.46	69.01	71.17
H2CCHO	3.55	3.51	61.95	61.87
H2CCHSI	97.77	97.77	66.01	65.94
H2CCHSIH	73.54	73.58	66.68	66.79
H2CCHSIH2	58.21	58.21	69.03	68.94
H2CCHSIH3	20.65	20.70	68.95	69.47
H2CLSICH3	−50.13	−50.06	72.04	73.01
H2CLSISICL3	−146.58	−146.56	100.61	101.70
H2CN	59.10	59.11	53.59	53.59
H2CNCH2	56.61	56.53	61.18	61.01
H2CNCH2O	45.02	44.98	68.50	68.38
H2CNCHO	−0.52	−0.56	66.78	66.64
H2CNH	21.89	21.85	54.81	55.45
H2CNNHO	49.78	49.72	67.28	67.10
H2CNNO	58.35	58.36	66.42	66.98
H2CNNO2	33.62	33.64	72.48	73.06
H2CNO	41.46	41.42	61.08	61.01
H2CNO2	36.44	36.47	65.53	65.58
H2CONO	33.07	33.10	68.31	68.54
H2GAET	−2.30	−2.30	83.68	83.68
H2GAME	15.00	15.00	64.85	64.85
H2NF	−6.49	−6.49	54.73	54.72
H2NNO	18.25	18.21	60.27	60.18
H2NO	15.82	15.82	55.69	55.68
H2NOH	−12.23	−12.16	56.04	56.17
H2O	−57.80	−57.80	45.11	45.10
H2O(L)	0.00	−68.31	0.00	16.71
H2O(S)	0.00	−69.96	0.00	10.71
H2O2	0.00	−32.53	0.00	55.65
H2S	−4.90	−4.90	49.15	49.14
H2SI(CH3)2	−23.20	−23.08	72.44	73.83
H2SI(CH3)CH2	25.55	25.61	77.77	79.83
H2SI(NH2)2	−37.30	−37.15	71.62	72.38
H2SIC	167.19	167.19	60.31	60.21
H2SICCH	90.95	90.95	66.92	66.80
H2SICH	105.35	105.42	62.48	63.58
H2SICH2	40.75	40.72	59.94	59.85
H2SICH3	33.05	33.11	64.52	65.41
H2SIN	149.19	149.19	59.51	59.51
H2SINH	40.99	40.95	59.90	60.09
H2SINH2	28.03	28.09	65.77	65.79
H2SINH3	23.78	23.85	66.78	66.78
H2SISIH2	62.90	62.87	66.69	66.89
H3ASGAET3	−11.00	−11.00	124.48	124.48
H3ASGAME3	−4.70	−4.70	102.50	102.50
H3CONHO	6.46	6.56	71.67	72.65
H3SIC	147.61	147.61	61.79	61.71
H3SICCH	53.02	53.02	64.11	64.02
H3SICH	92.67	92.67	65.63	66.94
H3SICH2	41.54	41.54	67.62	68.97
H3SICH3	−7.32	−7.25	61.75	62.43
H3SIN	234.59	234.60	56.93	56.93
H3SINH	51.32	51.34	65.52	66.21
H3SISIH	74.91	74.96	67.99	69.32
H3SISIH3	19.11	19.16	68.06	68.06
HALME	27.25	27.25	62.78	62.78
HALME2	−6.73	−6.72	75.32	75.33
HASALME	56.50	56.50	83.68	83.68
HASGAET	69.15	69.15	97.28	97.28
HASGAME	70.00	70.00	87.88	87.88
HASME	42.58	42.58	65.90	65.90
HASME2	18.10	18.10	78.45	78.45
HCCCHCCH	134.95	134.95	73.15	73.17
HCCCL	54.95	54.95	57.29	57.29
HCCHCCH	129.91	129.88	68.80	69.06
HCCO	42.44	42.44	60.74	60.73
HCCOH	20.42	20.43	58.69	58.70
HCCSICL2H	−31.76	−31.76	82.04	82.04
HCL	−22.06	−22.06	44.65	44.64
HCL2SICH3	−94.23	−94.16	79.61	80.53
HCL2SISICL2H	−145.25	−145.24	99.80	101.08
HCLCCCLO	−19.42	−19.43	77.51	77.40
HCLCCHO	−6.02	−6.03	70.20	70.09
HCLSI(CH3)2	−68.24	−68.09	81.59	83.53
HCLSI(CH3)CH2	−19.15	−19.06	83.79	86.52
HCLSICH2	2.62	2.59	68.45	68.37
HCLSICH3	−9.10	−9.03	72.91	74.00
HCLSISI	67.05	67.05	71.34	71.34
HCN	31.89	31.89	48.21	48.21
HCNH	66.15	66.10	55.58	55.90
HCNO	38.42	38.43	53.75	53.79
HCO	10.40	10.40	53.67	53.65
HCO+	199.10	199.10	48.59	48.59
HCOOH	−92.57	−92.61	59.32	59.26
HE	0.00	0.00	0.00	30.12
HE+	0.00	568.46	0.00	31.50
HF	−65.14	−65.14	41.51	41.50
HG2BR2(S)	−48.80	−48.80	52.28	52.27
HG2CL2(S)	−63.32	−63.32	46.02	46.00
HG2F2(S)	−116.00	−116.00	38.40	38.39
HG2I2(S)	−28.46	−28.47	57.67	57.66
HGAET	22.90	22.90	83.68	83.68
HGAET2	−2.30	−2.30	100.50	100.50
HGAME	29.00	29.00	65.90	65.90
HGAME2	2.50	2.50	79.50	79.50
HGBR	24.90	24.90	64.88	64.87
HGCL2	−34.97	−34.96	70.43	70.43
HGCL2(S)	−55.00	−55.00	34.54	34.53
HGF2	−70.19	−70.18	63.55	63.55
HGF2(S)	−101.00	−101.00	27.80	27.79
HGH	57.00	57.00	52.49	52.48
HGI	31.90	31.90	67.07	67.06
HGO	10.00	10.00	57.13	57.13
HGO(S)	−21.70	−21.70	16.80	16.79
HMEGAET	4.00	4.00	88.90	88.90
HN(OH)2	−24.72	−24.64	61.98	62.09
HN3	71.87	71.87	239.08	57.14
HNC	43.85	43.85	48.93	48.93
HNCN	76.43	76.43	59.36	59.36
HNCNH	35.61	35.71	57.31	57.42
HNCO	−28.22	−28.22	57.05	57.05
HNF	32.00	32.00	54.98	54.97
HNF2	−13.79	−13.79	60.06	60.06
HNNHO	21.91	21.86	58.70	58.63
HNNO	55.25	55.20	60.59	60.53
HNNONO	59.02	58.99	70.98	70.97
HNO	23.80	23.80	52.73	52.72
HNO2	−14.15	−14.15	56.75	56.73
HNO3	−32.10	−32.10	63.66	63.66
HNOH	21.05	21.06	55.78	55.78
HO2	2.50	2.50	54.73	54.72
HOCH2OH	−96.64	−96.53	61.14	61.31
HOCL	−18.64	−18.64	56.34	56.33
HOCN	−3.55	−3.53	57.66	59.25
HOCO	−46.31	−46.29	60.12	60.11
HONO	−18.34	−18.34	59.59	59.58
HONO2	−30.18	−30.18	63.20	63.16
HSI(CH3)2	18.27	18.38	74.81	76.56
HSI(CH3)2CH2	9.32	9.44	86.18	88.89
HSI(CH3)3	−39.40	−39.24	83.61	85.87
HSI(NH2)2	5.62	5.77	72.56	73.38
HSI(NH2)3	−64.86	−64.68	78.65	79.52
HSIC	184.85	184.85	58.24	58.13
HSICCH	104.97	104.97	64.44	64.32
HSICH2	85.83	85.81	60.64	60.53
HSICH3	48.84	48.90	62.04	63.21
HSICL	17.00	17.00	59.80	59.80
HSIN	92.99	92.99	54.76	54.75
HSINH	84.80	84.79	60.63	60.68
HSINH2	26.33	26.29	59.77	60.05
HSISICL	79.13	79.11	73.04	72.96
I*C3H7	0.00	18.20	0.00	60.09
K	21.31	21.31	38.30	38.30
K(L)	0.55	0.55	17.08	17.07
K+	122.90	122.90	36.92	36.92
K2	30.37	30.37	59.67	59.66
K2B4O7(S)	−796.90	−796.89	49.80	49.82
K2B6O10(S)	−1107.44	−1107.50	60.00	59.87
K2B8O13(S)	−1420.92	−1420.93	70.20	70.18
K2CO3(S)	−274.90	−274.91	37.17	37.15
K2H2O2	−156.50	−156.50	78.37	78.35
K2O(S)	−86.80	−86.79	22.50	22.51
K2O2(S)	−118.50	−118.47	27.00	27.05
K2SO4	−261.50	−261.50	87.49	87.50
K2SO4(A)	−343.62	−343.62	41.96	41.94
K2SO4(B)	−340.40	−340.41	45.96	45.94
K3CL6AL(S)	−500.00	−499.97	90.00	90.08
K3CL9AL2(S)	−683.60	−683.61	112.00	111.96
K3F6AL(S)	−795.00	−794.96	68.00	68.11
KBF4	−371.00	−371.00	75.35	75.36
KBO2	−161.10	−161.10	71.06	71.06
KBO2(S)	−237.80	−237.81	19.12	19.10
KBR	−43.04	−43.04	59.85	59.85
KBR(L)	−89.98	−89.99	25.23	25.22
KBR(S)	−94.12	−94.12	22.93	22.92
KCL	−51.31	−51.31	57.12	57.11
KCL(L)	−100.81	−100.81	20.71	20.71
KCL(S)	−104.37	−104.37	19.73	19.73
KCL4AL(S)	−286.00	−286.01	47.00	46.98
KCLO4(S)	−102.80	−100.21	36.10	40.62
KCN	19.00	19.00	60.48	60.47
KCN(L)	−24.89	−24.89	32.10	32.09
KCN(S)	−27.12	−27.12	30.54	30.53
KF	−78.10	−78.10	54.14	54.13
KF(L)	−132.52	−132.52	16.17	16.16
KF(S)	−135.90	−135.90	15.91	15.91
KH	29.40	29.40	47.30	47.30
KH(S)	−13.82	−13.81	12.00	12.02
KI	−30.00	−30.00	61.70	61.70
KI(L)	−74.77	−74.77	27.27	27.26
KI(S)	−78.37	−78.37	25.43	25.42
KO	17.00	17.00	56.86	56.86
KO−	−33.00	−33.00	54.06	54.06
KO2(S)	−68.00	−68.00	29.28	29.27
KOH	−98.64	−98.65	23.09	23.07
KOH+	119.00	119.00	59.80	59.81
ME2GAET	−5.25	−5.25	97.28	97.28
MEGAET	14.25	14.25	89.95	89.95
MEGAET2	−7.33	−7.32	106.70	106.71
MG	35.28	35.28	35.50	35.50
MG(L)	2.16	2.16	10.16	10.16
MG(S)	0.00	0.00	7.81	7.81
MG+	213.09	213.09	36.88	36.88
MG2	68.91	68.91	58.28	58.27
MG2BR4	−183.50	−183.50	110.24	110.23
MG2C3(S)	19.00	19.00	24.00	24.01
MG2F4	−410.70	−410.69	80.52	80.55
MGAL2O4(S)	−549.50	−549.49	21.20	21.22
MGB2(S)	−21.98	−21.99	8.60	8.59
MGBR	−8.45	−8.45	58.52	58.52
MGBR2	−72.40	−72.40	71.92	71.92
MGBR2+	174.80	174.80	76.87	76.87
MGC2(S)	21.00	21.00	13.00	13.01
MGCL	−10.40	−10.40	55.76	55.76
MGCL2	−93.80	−93.80	66.18	66.18
MGCL2(S)	−153.35	−153.35	21.42	21.42
MGCO3(S)	−265.70	−265.70	15.74	15.73
MGF	−56.60	−56.60	52.81	52.81
MGF2	−173.70	−173.70	61.28	61.28
MGF2(S)	−268.70	−268.70	13.68	13.67
MGF2+	141.49	141.49	61.67	61.68
MGH	40.40	40.40	46.15	46.14
MGH2(S)	−18.20	−18.20	7.43	7.42
MGH2O2	−136.80	−136.80	63.85	63.87
MGH2O2(S)	−221.00	−221.00	15.12	15.10
MGN	69.00	69.00	53.71	53.71
MGO(S)	−143.70	−143.70	6.44	6.45
MGOH	−39.38	−39.38	54.10	54.11
MGOH+	139.68	139.68	52.75	52.76
MGS	34.71	34.71	53.87	53.84
MGS(S)	−82.63	−82.63	12.03	12.02
MGSO4(S)	−301.57	−301.58	21.84	21.83
N	112.98	112.95	36.61	36.61
N*C3H7	0.00	22.60	0.00	64.13
N2	0.00	0.00	45.77	45.76
N2F2(C)	17.88	17.88	62.26	62.24
N2F2(T)	20.08	20.07	62.14	62.06
N2F4	−2.00	−2.00	71.96	71.98
N2H2	50.90	50.90	52.22	52.20
N2H3	0.00	36.78	0.00	54.61
N2H4	22.79	22.79	57.03	57.02
N2H4(L)	12.10	12.09	29.05	29.03
N2O	19.61	19.61	52.55	52.55
N2O+	318.69	318.69	55.87	55.86
N2O4	2.17	2.17	72.72	72.72
N3	99.00	99.00	54.10	54.10
NA	25.76	25.75	36.71	36.71
NA(L)	0.58	0.57	13.83	13.82
NA+	145.76	145.75	35.34	35.33
NA2	32.87	32.87	54.99	54.99
NA2B4O7(S)	−783.16	−783.17	45.29	45.27
NA2B6O10(S)	−1094.76	−1094.79	55.50	55.43
NA2C2N2	−2.10	−2.10	82.93	82.93
NA2F2	−202.30	−202.30	68.66	68.67
NA2H2O2	−145.20	−145.20	73.44	73.43
NA2O(L)	−89.11	−89.12	21.90	21.88
NA2O(S)	−99.90	−98.48	17.94	19.10
NA2O2	−122.66	−121.57	22.66	24.05
NA2SO4	−247.04	−247.04	82.87	82.89
NA2SO4(D)	−329.66	−329.66	39.01	38.99
NA2SO4(i)	−330.04	−330.04	38.30	38.28
NA2SO4(iii)	−330.99	−330.99	37.02	37.01
NA2SO4(iv)	−331.63	−331.64	35.89	35.87
NA2SO4(v)	−331.70	−331.70	35.75	35.74
NA3CL6AL(S)	−473.00	−472.97	83.00	83.08
NA3F6AL(S)	−792.76	−792.77	57.00	56.97
NABH4(S)	−45.85	−45.85	24.23	24.23
NABO2	−155.00	−155.00	68.63	68.63
NABO2(S)	−233.20	−233.21	17.58	17.56
NABR	−34.40	−34.40	57.63	57.63
NABR(L)	−81.11	−81.11	24.94	24.93
NABR(S)	−86.38	−86.38	20.75	20.74
NACH	22.53	22.53	58.14	58.14
NACL	−43.36	−43.36	54.90	54.90
NACL(S)	−98.26	−98.26	17.24	17.23
NACL4AL(S)	−273.00	−273.01	45.00	44.97
NACN	22.53	22.53	58.14	58.14
NACN(S)	−21.68	−21.68	28.32	28.31
NAF	−69.42	−69.42	51.98	51.98
NAF2−	−160.00	−160.00	59.89	59.89
NAF4AL	−440.00	−440.00	82.41	82.43
NAH	29.70	29.70	45.00	44.99
NAI(S)	−68.80	−68.80	23.54	23.54
NAO	20.00	20.00	54.74	54.74
NAO−	−29.00	−29.00	51.95	51.95
NAO2(S)	−62.30	−62.30	27.70	27.69
NAO2AL(S)	−270.84	−270.59	16.83	17.17
NAOH	−47.27	−47.26	54.57	54.58
NAOH(L)	−99.64	−99.64	18.13	18.12
NAOH+	162.00	162.00	57.96	57.96
NCN	107.59	107.59	54.77	54.76
NCO	31.51	31.51	54.14	54.14
NF	53.93	53.93	50.82	50.82
NF2	7.87	7.87	59.40	59.39
NF3	−27.97	−27.97	61.79	61.79
NFO	−15.70	−15.70	59.27	59.27
NFO2	−26.00	−26.00	62.18	62.18
NH	85.20	85.20	43.29	43.29
NH2	45.50	45.50	46.51	46.50
NH3	−10.97	−10.97	46.05	46.03
NNH	58.57	58.57	53.63	53.62
NO	21.58	21.58	50.35	50.34
NO+	236.66	236.66	47.35	47.34
NO2	7.91	7.91	57.34	57.33
NO2−	−48.45	−48.45	56.52	56.51
NO2F	−23.10	−23.09	61.26	61.26
NO3	17.00	17.00	60.35	60.35
NO3F	3.34	3.34	68.94	68.85
NOF	−16.91	−16.90	58.63	58.63
NOF3	−39.00	−39.00	66.54	66.55
O	59.55	59.55	38.47	38.46
O+	374.95	374.95	37.01	37.01
O−	24.32	24.32	37.69	37.68
O2	0.00	0.00	49.01	49.00
O2-	-11.61	-11.62	50.06	50.06
O2F	22.56	22.56	60.57	60.56
O3	34.10	34.10	57.08	57.08
OC(OH)2	−147.04	−147.04	64.46	64.40
OCHCHO	−49.55	-49.53	64.82	64.98
OCHNNHO	−2.05	−2.09	69.36	69.15
OF	23.73	23.73	50.43	50.43
OF2	4.60	4.60	58.54	58.54
OH	9.32	9.32	43.88	43.87
OH+	314.80	314.80	43.66	43.65
OH−	−34.32	−34.32	41.19	41.19
ONHNHO	23.55	23.52	62.66	62.55
ONHNOH	−1.77	−1.77	65.04	64.93
P	79.80	79.80	38.98	38.98
P2	42.68	42.68	52.11	52.11
P4	30.77	30.78	66.89	66.92
S	66.20	66.20	40.09	40.09
S(L)	0.00	0.44	0.00	8.77
S(S)	0.00	0.00	0.00	7.62
S+	306.48	306.47	39.08	39.08
S−TRIAZINE	56.36	56.37	64.49	64.49
S2	30.71	30.71	54.51	54.50
SH	33.30	33.30	46.73	46.73
SI	107.70	107.70	40.12	40.12
SI(CH3)2	32.16	32.19	74.55	77.23
SI(CH3)3	3.12	3.28	84.75	87.23
SI(CH3)3CH2	−6.88	−6.71	96.57	99.89
SI(CH3)4	−55.74	−55.51	93.08	96.05
SI(L)	11.59	11.58	10.63	10.62
SI(NH2)3	−18.77	−18.63	84.34	84.27
SI(NH2)4	−92.88	−92.67	84.54	85.38
SI(S)	0.00	0.00	4.50	4.50
SI2	145.79	145.79	54.83	54.83
SI2C	128.00	128.00	57.88	57.88
SI2CL5	−151.65	−151.64	109.12	110.10
SI2CL5H	−188.98	−188.97	108.00	108.98
SI2CL6	−232.75	−232.73	111.13	111.85
SI2F6	−569.62	−569.61	97.16	97.16
SI2H2	95.63	95.62	58.84	58.83
SI2H3	105.70	105.70	65.51	65.51
SI2H5	55.70	55.70	68.85	68.85
SI2H6	19.10	19.10	64.54	64.53
SI3	152.00	152.00	64.00	64.01
SI3H8	28.90	28.90	81.57	81.56
SI3N4(A)	−178.00	−178.00	27.00	26.99
SIC	172.00	172.01	50.89	50.93
SIC(B)	−17.50	−17.50	3.97	3.98
SIC2	147.00	147.00	56.55	56.55
SICCH	125.77	125.77	60.40	60.26
SICH	124.39	124.39	54.94	54.83
SICH2	74.15	74.15	55.99	55.92
SICH3	74.53	74.53	60.16	60.13
SICL	37.90	37.90	56.80	56.80
SICL2	−40.30	−40.30	67.20	67.20
SICL2H2	−74.50	−74.50	68.40	68.40
SICL3	−76.50	−76.50	75.50	75.50
SICL3CH2CH	−140.60	−140.59	93.99	95.65
SICL3H	−118.60	−118.60	74.90	74.89
SICL4	−158.40	−158.40	79.10	79.09
SICLH3	−32.20	−32.20	59.80	59.79
SIF	−12.42	−12.42	52.71	52.71
SIF(NH2)2	−95.48	−95.33	76.93	77.70
SIF(NH2)3	−170.70	−170.55	87.97	87.91
SIF2	−149.86	−149.86	61.38	61.38
SIF2(NH2)2	−247.30	−247.19	82.82	82.77
SIF2N	−63.11	−63.11	70.51	70.51
SIF2NH2	−167.24	−167.21	77.17	77.48
SIF3	−237.42	−237.42	67.76	67.76
SIF3NH	−249.65	−249.65	82.15	83.70
SIF3NH2	−317.89	−317.89	79.98	81.03
SIF3NHSIH3	−320.19	−320.16	95.97	96.88
SIF3NSIH3	−252.84	−252.83	97.65	99.34
SIF4	−385.98	−385.98	67.55	67.54
SIFH3	−85.50	−85.50	57.00	57.00
SIFNH	−13.57	−13.49	68.88	68.95
SIFNH2	−80.01	−80.04	64.68	64.62
SIH	91.70	91.70	44.20	44.20
SIH2	64.80	64.80	49.50	49.49
SIH2CL	7.80	7.80	62.30	62.30
SIH2F	−42.16	−42.16	59.70	59.70
SIH2F2	−186.38	−186.38	62.81	62.81
SIH3	47.43	47.43	51.81	51.80
SIH3NH2	−11.45	−11.40	65.66	65.66
SIH3NHSIH3	−14.32	−14.32	83.54	85.95
SIH3NSIH3	48.90	48.90	83.75	86.69
SIH3SIH2CH3	4.03	4.14	79.43	81.90
SIH4	8.09	8.10	48.90	48.90
SIHCL2	−34.30	−34.30	70.30	70.30
SIHF	−35.70	−35.70	57.07	57.07
SIHF2	−139.57	−139.57	65.05	65.05
SIHF3	−288.63	−288.63	66.65	66.65
SIN	115.55	115.55	51.95	51.95
SINH	38.39	38.39	51.66	51.66
SINH2	48.67	48.67	58.56	58.56
SN	63.00	63.00	53.06	53.05
SO	1.20	1.20	53.02	53.01
SO2	−70.95	−70.95	59.30	59.29
SO3	−94.59	−94.59	61.34	61.34
TI	113.20	113.20	43.07	43.06
TICL	36.90	36.90	59.54	59.54
TICL2	−56.70	−56.70	66.50	66.50
TICL3	−128.90	−128.90	75.70	75.71
TICL4	−182.40	−182.40	84.79	84.80