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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- Gas Phase Kinetics Database
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Reaction thermochemistry data

Go To: Top, 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

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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, 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, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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]

Johnson, Popov, et al., 1991
Johnson, F.P.A.; Popov, V.K.; George, M.W.; Bagratashvili, V.N.; Poliakoff, M.; Turner, J.J., Mendeleev Commun., 1991, 145.. [all data]

Rogers and Dejroongruang, 1988
Rogers, D.W.; Dejroongruang, K., Enthalpies of hydrogenation of the n-heptenes and the methylhexenes, J. Chem. Thermodyn., 1988, 20, 675-680. [all data]

Rogers and Siddiqui, 1975
Rogers, D.W.; Siddiqui, N.A., Heats of hydrogenation of large molecules. I. Esters of unsaturated fatty acids, J. Phys. Chem., 1975, 79, 574-577. [all data]

Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D., Heats of isomerization of the nine heptanes, J. Res. NBS, 1941, 27, 519-528. [all data]

Burkey, 1990
Burkey, T.J., J. Am. Chem. Soc., 1990, 112, 8329. [all data]

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

Yang and Yang, 1992
Yang, P.-F.; Yang, K.G., J. Am. Chem. Soc., 1992, 114, 6937. [all data]

Rogers, Dagdagan, et al., 1979
Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L., Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation, J. Am. Chem. Soc., 1979, 101, 671-676. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Lias, 1982
Lias, S.G., Thermochemical information from ion-molecule rate constants, Ion Cyclotron Reson. Spectrom. 1982, 1982, 409. [all data]

Mautner(Meot-Ner), Sieck, et al., 1981
Mautner(Meot-Ner), M.; Sieck, L.W.; Ausloos, P., Ionization of normal alkanes: Enthalpy, entropy, structural, and isotope effects, J. Am. Chem. Soc., 1981, 103, 5342. [all data]

Lias, Ausloos, et al., 1976
Lias, S.G.; Ausloos, P.; Horvath, Z., Charge transfer reactions in alkane and cycloalkane systems. Estimated ionization potentials, Int. J. Chem. Kinet., 1976, 8, 725. [all data]

Brehm, 1966
Brehm, B., Massenspektrometrische Untersuchung der Photoionisation von Molekulen, Z. Naturforsch., 1966, 21a, 196. [all data]

Turner and Al-Joboury, 1964
Turner, D.W.; Al-Joboury, M.I., Molecular photoelectron spectroscopy, Bull. Soc. Chim. Belges, 1964, 73, 428. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Olmsted, Street, et al., 1964
Olmsted, J., III; Street, K., Jr.; Newton, A.S., Excess-kinetic-energy ions in organic mass spectra, J. Chem. Phys., 1964, 40, 2114. [all data]

Potzinger and Bunau, 1969
Potzinger, P.; Bunau, G.v., Empirische Beruksichtigung von Uberschussenergien bei der Auftrittspotentialbestimmung, Ber. Bunsen-Ges. Phys. Chem., 1969, 73, 466. [all data]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G., Photoionization of alkanes. Dissociation of excited molecular ions, J. Chem. Phys., 1961, 34, 189. [all data]

Lewis and Hamill, 1970
Lewis, D.; Hamill, W.H., Excited states of neutral molecular fragments from appearance potentials by electron impact in a mass spectrometer, J. Chem. Phys., 1970, 52, 6348. [all data]

Notes

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Symbols used in this document:

AE Appearance energy

IE (evaluated) Recommended ionization energy

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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AE	Appearance energy
IE (evaluated)	Recommended ionization energy
Δ_rH°	Enthalpy of reaction at standard conditions