Octane

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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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)9.80 ± 0.15eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.01ESTLuo and Pacey, 1992LL
9.80 ± 0.10EVALLias, 1982LBLHLM
9.71 ± 0.15EQMautner(Meot-Ner), Sieck, et al., 1981LLK
9.79EQLias, Ausloos, et al., 1976LLK
10.25EIPotzinger and Bunau, 1969RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H5+13.44?EIPotzinger and Bunau, 1969RDSH
C3H7+11.89?EIPotzinger and Bunau, 1969RDSH
C4H8+11.19 ± 0.07C4H10PISteiner, Giese, et al., 1961RDSH
C4H9+11.12n-C4H9?EIPotzinger and Bunau, 1969RDSH
C4H9+11.40 ± 0.07n-C4H9?PISteiner, Giese, et al., 1961RDSH
C5H10+11.08 ± 0.03C3H8PISteiner, Giese, et al., 1961RDSH
C5H11+11.03C3H7EIPotzinger and Bunau, 1969RDSH
C5H11+11.22 ± 0.085C3H7PISteiner, Giese, et al., 1961RDSH
C6H12+10.29C2H6EILewis and Hamill, 1970RDSH
C6H12+10.81 ± 0.03C2H6PISteiner, Giese, et al., 1961RDSH
C6H13+10.91 ± 0.035C2H5PISteiner, Giese, et al., 1961RDSH
C7H15+~10.90 ± 0.10CH3PISteiner, Giese, et al., 1961RDSH

Mass spectrum (electron ionization)

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW- 660
NIST MS number 229407

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References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References