Heptane

Formula: C₇H₁₆
Molecular weight: 100.2019
IUPAC Standard InChI: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
IUPAC Standard InChIKey: IMNFDUFMRHMDMM-UHFFFAOYSA-N
CAS Registry Number: 142-82-5
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Isotopologues:
Other names: n-Heptane; Dipropylmethane; Heptyl hydride; Skellysolve C; n-C7H16; Eptani; Heptan; Heptanen; Gettysolve-C; NSC 62784
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Other data available:
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- Gas Phase Kinetics Database
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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-44.89 ± 0.19	kcal/mol	Ccb	Prosen and Rossini, 1945	ALS
Δ_fH°_gas	-45.24	kcal/mol	N/A	Davies and Gilbert, 1941	Value computed using Δ_fH_liquid° value of -225.9±1.3 kj/mol from Davies and Gilbert, 1941 and Δ_vapH° value of 36.6 kj/mol from Prosen and Rossini, 1945.; DRB

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
30.509	200.	Scott D.W., 1974	Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculation [ Pitzer K.S., 1944, Pitzer K.S., 1946].; GT
36.960	273.15
39.48 ± 0.07	298.15
39.670	300.
50.349	400.
60.251	500.
68.700	600.
75.801	700.
81.800	800.
86.900	900.
91.200	1000.
94.900	1100.
98.100	1200.
101.00	1300.
104.00	1400.
106.00	1500.

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
45.770 ± 0.045	357.10	Waddington G., 1947	GT
47.510 ± 0.048	373.15
50.370 ± 0.050	400.40
53.850 ± 0.055	434.35
57.000 ± 0.057	466.10

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes

Data compiled as indicated in comments:
MS - José A. Martinho Simões
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

(solution) + Heptane (solution) = C₁₄H₂₁MnO₂ (solution) + (solution)

By formula: C₈H₅MnO₃ (solution) + C₇H₁₆ (solution) = C₁₄H₂₁MnO₂ (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47. ± 2.	kcal/mol	AVG	N/A	Average of 18 values; Individual data points

(solution) + Heptane (solution) = C₁₂H₁₆CrO₅ (solution) + (solution)

By formula: C₆CrO₆ (solution) + C₇H₁₆ (solution) = C₁₂H₁₆CrO₅ (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.1 ± 0.8	kcal/mol	AVG	N/A	Average of 13 values; Individual data points

C₁₂H₁₆CrO₅ (solution) = Heptane (solution) + C₅CrO₅ (solution)

By formula: C₁₂H₁₆CrO₅ (solution) = C₇H₁₆ (solution) + C₅CrO₅ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.61	kcal/mol	N/A	Morse, Parker, et al., 1989	solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 36.81 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 27.20 kcal/mol Morse, Parker, et al., 1989; MS
Δ_rH°	9.8	kcal/mol	N/A	Yang, Vaida, et al., 1988	solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 36.81 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 26.98 kcal/mol Yang, Peters, et al., 1986; MS

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-29.8 ± 0.5	kcal/mol	AVG	N/A	Average of 6 values; Individual data points

C₁₂H₁₆MoO₅ (solution) = C₅MoO₅ (solution) + Heptane (solution)

By formula: C₁₂H₁₆MoO₅ (solution) = C₅MoO₅ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.70	kcal/mol	N/A	Morse, Parker, et al., 1989	solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Mo-CO bond in Mo(CO)6, 40.51 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Mo(CO)6(solution) + n-C7H16(solution) = Mo(CO)5(n-C7H16)(solution) + CO(solution), 31.81 kcal/mol Morse, Parker, et al., 1989; MS

C₁₂H₁₆O₅W (solution) = C₅O₅W (solution) + Heptane (solution)

By formula: C₁₂H₁₆O₅W (solution) = C₅O₅W (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.4	kcal/mol	N/A	Morse, Parker, et al., 1989	solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of W-CO bond in W(CO)6, 46.01 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction W(CO)6(solution) + n-C7H16(solution) = W(CO)5(n-C7H16)(solution) + CO(solution), 32.60 kcal/mol Morse, Parker, et al., 1989; MS

(solution) + Heptane (solution) = C₁₂H₁₆MoO₅ (solution) + (solution)

By formula: C₆MoO₆ (solution) + C₇H₁₆ (solution) = C₁₂H₁₆MoO₅ (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.3 ± 2.9	kcal/mol	PAC	Johnson, Popov, et al., 1991	solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation.; MS
Δ_rH°	31.8 ± 1.3	kcal/mol	PAC	Morse, Parker, et al., 1989	solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-28.32 ± 0.07	kcal/mol	Chyd	Rogers and Dejroongruang, 1988	liquid phase; solvent: Hydrocarbone; ALS
Δ_rH°	-28.01 ± 0.68	kcal/mol	Chyd	Rogers and Siddiqui, 1975	liquid phase; solvent: n-Hexane; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-0.14 ± 0.23	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-0.52 ± 0.27	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-3.42 ± 0.28	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-4.45 ± 0.32	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-2.18 ± 0.26	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-2.80 ± 0.30	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-2.54 ± 0.16	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-3.40 ± 0.22	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-2.44 ± 0.15	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-3.24 ± 0.21	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

Heptane =

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-3.00 ± 0.22	kcal/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-4.17 ± 0.27	kcal/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization; ALS

(solution) + Heptane (solution) = C₁₂H₁₆O₅W (solution) + (solution)

By formula: C₆O₆W (solution) + C₇H₁₆ (solution) = C₁₂H₁₆O₅W (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.60 ± 0.41	kcal/mol	PAC	Morse, Parker, et al., 1989	solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS

(solution) + Heptane (solution) = C₁₅H₂₂CrO₂ (solution) + (solution)

By formula: C₉H₆CrO₃ (solution) + C₇H₁₆ (solution) = C₁₅H₂₂CrO₂ (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.79 ± 0.31	kcal/mol	PAC	Burkey, 1990	solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS

(solution) + Heptane (solution) = C₁₅H₂₁O₃V (solution) + (solution)

By formula: C₉H₅O₄V (solution) + C₇H₁₆ (solution) = C₁₅H₂₁O₃V (solution) + CO (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	25.6 ± 3.1	kcal/mol	PAC	Johnson, Popov, et al., 1991	solvent: Heptane; The reaction enthalpy relies on 0.80 for the quantum yield of CO dissociation.; MS

C₁₂H₁₆CrO₅ (solution) + (solution) = Heptane (solution) + C₁₀H₅CrNO₅ (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₄H₄N₂ (solution) = C₇H₁₆ (solution) + C₁₀H₅CrNO₅ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-20.1 ± 0.41	kcal/mol	PAC	Yang, Vaida, et al., 1988	solvent: Heptane; MS

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-27.3 ± 0.1	kcal/mol	Chyd	Rogers and Dejroongruang, 1988	liquid phase; solvent: Hydrocarbone; ALS

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-27.41 ± 0.07	kcal/mol	Chyd	Rogers and Dejroongruang, 1988	liquid phase; solvent: Hydrocarbone; ALS

C₁₄H₂₁MnO₂ (solution) + (solution) = C₁₁H₁₃MnO₃ (solution) + Heptane (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + C₄H₈O (solution) = C₁₁H₁₃MnO₃ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-16.1 ± 1.4	kcal/mol	PAC	Klassen, Selke, et al., 1990	solvent: Heptane; MS

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-27.63 ± 0.1	kcal/mol	Chyd	Rogers and Dejroongruang, 1988	liquid phase; solvent: Hydrocarbone; ALS

C₁₂H₁₆CrO₅ (solution) + (solution) = C₉H₈CrO₆ (solution) + Heptane (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₄H₈O (solution) = C₉H₈CrO₆ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-12.4 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

C₁₂H₁₆CrO₅ (solution) + (solution) = Heptane (solution) + C₈H₆CrO₆ (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₃H₆O (solution) = C₇H₁₆ (solution) + C₈H₆CrO₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-13.5 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

C₁₂H₁₆CrO₅ (solution) + (solution) = C₁₇H₂₇CrNO₅ (solution) + Heptane (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₁₂H₂₇N (solution) = C₁₇H₂₇CrNO₅ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-12.2 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

C₁₂H₁₆CrO₅ (solution) + (solution) = C₁₁H₁₂CrO₅ (solution) + Heptane (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₆H₁₂ (solution) = C₁₁H₁₂CrO₅ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-12.2 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

C₁₄H₂₁MnO₂ (solution) + (solution) = C₁₀H₁₁MnO₃ (solution) + Heptane (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + C₃H₆O (solution) = C₁₀H₁₁MnO₃ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-17.4 ± 1.0	kcal/mol	PAC	Klassen, Selke, et al., 1990	solvent: Heptane; MS

C₁₄H₂₁MnO₂ (solution) + (solution) = C₈H₇Cl₂MnO₂ (solution) + Heptane (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + CH₂Cl₂ (solution) = C₈H₇Cl₂MnO₂ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-9.0 ± 1.0	kcal/mol	PAC	Yang and Yang, 1992	solvent: Heptane; MS

C₁₄H₂₁MnO₂ (solution) + (solution) = C₈H₇Br₂MnO₂ (solution) + Heptane (solution)

By formula: C₁₄H₂₁MnO₂ (solution) + CH₂Br₂ (solution) = C₈H₇Br₂MnO₂ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-12.2 ± 1.2	kcal/mol	PAC	Yang and Yang, 1992	solvent: Heptane; MS

C₁₂H₁₆CrO₅ (solution) + (solution) = C₇H₅CrO₆ (solution) + Heptane (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₂H₆O (solution) = C₇H₅CrO₆ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-13.8 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

C₁₂H₁₆CrO₅ (solution) + (solution) = C₈H₆CrNO₅ (solution) + Heptane (solution)

By formula: C₁₂H₁₆CrO₅ (solution) + C₂H₃N (solution) = C₈H₆CrNO₅ (solution) + C₇H₁₆ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-18.2 ± 1.2	kcal/mol	PAC	Yang, Peters, et al., 1986	solvent: Heptane; MS

+ 2 = Heptane

By formula: C₇H₁₂ + 2H₂ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-65.11 ± 0.31	kcal/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane; ALS

2 + = Heptane

By formula: 2H₂ + C₇H₁₂ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-64.63 ± 0.36	kcal/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane; ALS

2 + = Heptane

By formula: 2H₂ + C₇H₁₂ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-69.65 ± 0.39	kcal/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	9.93 ± 0.10	eV	N/A	N/A	L

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.15	EST	Luo and Pacey, 1992	LL
9.93 ± 0.10	EVAL	Lias, 1982	LBLHLM
9.83 ± 0.15	EQ	Mautner(Meot-Ner), Sieck, et al., 1981	LLK
9.91	EQ	Lias, Ausloos, et al., 1976	LLK
9.90 ± 0.05	PI	Brehm, 1966	RDSH
10.16	PE	Turner and Al-Joboury, 1964	RDSH
10.08	PI	Watanabe, Nakayama, et al., 1962	RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₃⁺	27.9 ± 0.2	?	EI	Olmsted, Street, et al., 1964	RDSH
C₂H₅⁺	12.89	?	EI	Potzinger and Bunau, 1969	RDSH
C₃H₅⁺	12.7 ± 0.1	?	PI	Brehm, 1966	RDSH
C₃H₆⁺	10.7 ± 0.1	C₄H₁₀	PI	Brehm, 1966	RDSH
C₃H₆⁺	10.97 ± 0.08	C₄H₁₀	PI	Steiner, Giese, et al., 1961	RDSH
C₃H₇⁺	11.58	?	EI	Potzinger and Bunau, 1969	RDSH
C₃H₇⁺	11.05 ± 0.05	?	PI	Brehm, 1966	RDSH
C₄H₇⁺	11.5 ± 0.1	?	PI	Brehm, 1966	RDSH
C₄H₈⁺	10.56 ± 0.05	C₃H₈	PI	Brehm, 1966	RDSH
C₄H₈⁺	10.97 ± 0.03	C₃H₈	PI	Steiner, Giese, et al., 1961	RDSH
C₄H₉⁺	10.72	C₃H₇	EI	Potzinger and Bunau, 1969	RDSH
C₄H₉⁺	10.56 ± 0.05	C₃H₇	PI	Brehm, 1966	RDSH
C₄H₉⁺	11.19 ± 0.07	C₃H₇	PI	Steiner, Giese, et al., 1961	RDSH
C₅H₁₀⁺	10.33	C₂H₆	EI	Lewis and Hamill, 1970	RDSH
C₅H₁₀⁺	10.40 ± 0.05	C₂H₆	PI	Brehm, 1966	RDSH
C₅H₁₀⁺	11.035 ± 0.025	C₂H₆	PI	Steiner, Giese, et al., 1961	RDSH
C₅H₁₁⁺	10.66	C₂H₅	EI	Potzinger and Bunau, 1969	RDSH
C₅H₁₁⁺	10.43 ± 0.05	C₂H₅	PI	Brehm, 1966	RDSH
C₅H₁₁⁺	10.96 ± 0.085	C₂H₅	PI	Steiner, Giese, et al., 1961	RDSH
C₆H₁₂⁺	11.145 ± 0.035	CH₄	PI	Steiner, Giese, et al., 1961	RDSH
C₆H₁₃⁺	10.7 ± 0.1	CH₃	PI	Brehm, 1966	RDSH
C₆H₁₃⁺	10.93 ± 0.11	CH₃	PI	Steiner, Giese, et al., 1961	RDSH

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [all data]

Davies and Gilbert, 1941
Davies, G.F.; Gilbert, E.C., Heats of combustion and formation of the nine isomeric heptanes in the liquid state, J. Am. Chem. Soc., 1941, 63, 2730-2732. [all data]

Scott D.W., 1974
Scott D.W., Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]

Scott D.W., 1974, 2
Scott D.W., Correlation of the chemical thermodynamic properties of alkane hydrocarbons, J. Chem. Phys., 1974, 60, 3144-3165. [all data]

Pitzer K.S., 1944
Pitzer K.S., Thermodynamics of gaseous paraffins. Specific heat and related properties, Ind. Eng. Chem., 1944, 36, 829-831. [all data]

Pitzer K.S., 1946
Pitzer K.S., The entropies and related properties of branched paraffin hydrocarbons, Chem. Rev., 1946, 39, 435-447. [all data]

Waddington G., 1947
Waddington G., An improved flow calorimeter. Experimental vapor heat capacities and heats of vaporization of n-heptane and 2,2,3-trimethylbutane, J. Am. Chem. Soc., 1947, 69, 22-30. [all data]

Morse, Parker, et al., 1989
Morse, J.M., Jr.; Parker, G.H.; Burkey, T.J., Organometallics, 1989, 8, 2471. [all data]

Lewis, Golden, et al., 1984
Lewis, K.E.; Golden, D.M.; Smith, G.P., Organometallic bond dissociation energies: Laser pyrolysis of Fe(CO)₅, Cr(CO)₆, Mo(CO)₆, and W(CO)₆, J. Am. Chem. Soc., 1984, 106, 3905. [all data]

Yang, Vaida, et al., 1988
Yang, G.K.; Vaida, V.; Peters, K.S., Polyhedron, 1988, 7, 1619. [all data]

Yang, Peters, et al., 1986
Yang, G.K.; Peters, K.S.; Vaida, V., Chem. Phys. Lett., 1986, 125, 566. [all data]

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Klassen, J.K.; Selke, M.; Sorensen, A.A.; Yang, G.K., J. Am. Chem. Soc., 1990, 112, 1267. [all data]

Yang and Yang, 1992
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Rogers, Dagdagan, et al., 1979
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Notes

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Symbols used in this document:

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
IE (evaluated)	Recommended ionization energy
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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