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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

References

Go To: Top, Gas phase ion energetics data, 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

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