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5-Methylene 1,3-cyclohexadiene


Gas phase thermochemistry 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 compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas196.6kJ/molIonBally, Hasselmann, et al., 1985Authors suspected their value
Deltafgas150. ± 10.kJ/molIonBartmess, 1982Bracketing with RS-

Reaction thermochemistry 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 compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

5-Methylene 1,3-cyclohexadiene = Toluene

By formula: C7H8 = C7H8

Quantity Value Units Method Reference Comment
Deltar-100. ± 10.kJ/molCmBartmess and Griffith, 1990gas phase; Gas phase acidity

References

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

Bally, Hasselmann, et al., 1985
Bally, T.; Hasselmann, D.; Loosen, K., 41. The molecular ion of 5-methylene-1,3-cyclohexadiene: electronic absorption spectrum and revised enthalpy of formation, Helv. Chim. Acta, 1985, 68, 345-354. [all data]

Bartmess, 1982
Bartmess, J.E., Gas-phase ion chemistry of 5-methylene-1,3-cyclohexadiene (o-isotoluene) and 3-methylene-1,4-cyclohexadiene (p-isotoluene), J. Am. Chem. Soc., 1982, 104, 335-337. [all data]

Bartmess and Griffith, 1990
Bartmess, J.E.; Griffith, S.S., Tautomerization energetics of benzoannelated toluenes, J. Am. Chem. Soc., 1990, 112, 2931-2936. [all data]


Notes

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