Cyclohexene, 1-methyl-

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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:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
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

View reactions leading to C7H12+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)825.1kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity792.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.67 ± 0.02PERang, Paldoia, et al., 1974LLK
8.67 ± 0.02EIWinters and Collins, 1968RDSH
8.69 ± 0.05PEBaidin, Timoshenko, et al., 1985Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3+14.06 ± 0.13?EIWinters and Collins, 1968RDSH
C3H5+13.46 ± 0.09?EIWinters and Collins, 1968RDSH
C4H5+13.22 ± 0.10?EIWinters and Collins, 1968RDSH
C4H6+11.02 ± 0.08?EIWinters and Collins, 1968RDSH
C4H7+11.48 ± 0.05?EIWinters and Collins, 1968RDSH
C5H7+10.47 ± 0.07C2H5EIWinters and Collins, 1968RDSH
C5H8+10.56 ± 0.15C2H4EIWinters and Collins, 1968RDSH
C6H9+10.27 ± 0.09CH3EIWinters and Collins, 1968RDSH
C7H11+10.78 ± 0.05HEIBlanchette, Holmes, et al., 1987LBLHLM


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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, . [all data]

Rang, Paldoia, et al., 1974
Rang, S.; Paldoia, P.; Talvari, A., Ionization potentials of unsaturated hydrocarbons. 2. Mono-substituted cyclopentenes and cyclohexenes, Eesti. NSV Tead. Akad. Toim., 1974, 354. [all data]

Winters and Collins, 1968
Winters, R.E.; Collins, J.H., Mass spectrometric studies of structural isomers. I. Mono- and bicyclic C7H12 molecules, J. Am. Chem. Soc., 1968, 90, 1235. [all data]

Baidin, Timoshenko, et al., 1985
Baidin, V.N.; Timoshenko, M.M.; Chizhov, Y.V.; Ustynyuk, Y.A.; Kritskaya, I.I., Photoelectron spectra nad the structure of organomercury compounds, J. Organomet. Chem., 1985, 292, 55. [all data]

Blanchette, Holmes, et al., 1987
Blanchette, M.C.; Holmes, J.L.; Lossing, F.P., Characterizing the 2-norbornyl cation in the gas phase, J. Am. Chem. Soc., 1987, 109, 1392. [all data]


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