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

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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	-187.8 ± 0.79	kJ/mol	Ccb	Prosen and Rossini, 1945	ALS
Δ_fH°_gas	-189.3	kJ/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 (J/mol*K)	Temperature (K)	Reference	Comment
127.65	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
154.64	273.15
165.2 ± 0.3	298.15
165.98	300.
210.66	400.
252.09	500.
287.44	600.
317.15	700.
342.25	800.
363.59	900.
381.58	1000.
397.06	1100.
410.45	1200.
422.58	1300.
435.14	1400.
443.50	1500.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
191.50 ± 0.19	357.10	Waddington G., 1947	GT
198.78 ± 0.20	373.15
210.75 ± 0.21	400.40
225.31 ± 0.23	434.35
238.49 ± 0.24	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°	196. ± 7.	kJ/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°	113. ± 3.	kJ/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°	40.2	kJ/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, 154.0 kJ/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), 113.8 kJ/mol Morse, Parker, et al., 1989; MS
Δ_rH°	41.	kJ/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, 154.0 kJ/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), 112.9 kJ/mol Yang, Peters, et al., 1986; MS

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-125. ± 2.	kJ/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°	36.4	kJ/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, 169.5 kJ/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), 133.1 kJ/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°	56.1	kJ/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, 192.5 kJ/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), 136.4 kJ/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°	135. ± 12.	kJ/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°	133.1 ± 5.4	kJ/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°	-118.5 ± 0.3	kJ/mol	Chyd	Rogers and Dejroongruang, 1988	liquid phase; solvent: Hydrocarbone; ALS
Δ_rH°	-117.2 ± 2.8	kJ/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°	-0.59 ± 0.96	kJ/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-2.2 ± 1.1	kJ/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°	-14.3 ± 1.2	kJ/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-18.6 ± 1.3	kJ/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°	-9.1 ± 1.1	kJ/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-11.7 ± 1.3	kJ/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°	-10.6 ± 0.67	kJ/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-14.2 ± 0.92	kJ/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°	-10.2 ± 0.63	kJ/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-13.6 ± 0.88	kJ/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°	-12.6 ± 0.92	kJ/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization; ALS
Δ_rH°	-17.4 ± 1.1	kJ/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°	136.4 ± 1.7	kJ/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°	137.2 ± 1.3	kJ/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°	107. ± 13.	kJ/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°	-84.1 ± 1.7	kJ/mol	PAC	Yang, Vaida, et al., 1988	solvent: Heptane; MS

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-114.1 ± 0.5	kJ/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°	-114.7 ± 0.3	kJ/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°	-67.4 ± 5.9	kJ/mol	PAC	Klassen, Selke, et al., 1990	solvent: Heptane; MS

+ = Heptane

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-115.6 ± 0.4	kJ/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°	-51.9 ± 5.0	kJ/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°	-56.5 ± 5.0	kJ/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°	-51.0 ± 5.0	kJ/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°	-51.0 ± 5.0	kJ/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°	-72.8 ± 4.2	kJ/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°	-37.7 ± 4.2	kJ/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°	-51.0 ± 5.0	kJ/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°	-57.7 ± 5.0	kJ/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°	-76.1 ± 5.0	kJ/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°	-272.4 ± 1.3	kJ/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°	-270.4 ± 1.5	kJ/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°	-291.4 ± 1.6	kJ/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane; ALS

Gas phase ion energetics data

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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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