trans-1,2-Dimethylcycloheptane

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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

trans-1,2-Dimethylcycloheptane = cis-1,2-Dimethylcycloheptane

By formula: C9H18 = C9H18

Quantity Value Units Method Reference Comment
Δr0.7 ± 0.3kcal/molEqkAnfilogova, Balenkova, et al., 1974gas phase
Δr0.54 ± 0.02kcal/molEqkAllinger and Pamphilis, 1973liquid phase; solvent: Pentane

cis-1,2-Dimethylcycloheptane = trans-1,2-Dimethylcycloheptane

By formula: C9H18 = C9H18

Quantity Value Units Method Reference Comment
Δr-0.7kcal/molCisoMann, Muhlstadt, et al., 1968liquid phase

Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane70.941.Schomburg, 1966 

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.

Anfilogova, Balenkova, et al., 1974
Anfilogova, S.N.; Balenkova, E.S.; Dmitriev, A.B., Relative stability of cis- and trans-1,2-dimethylcycloheptanes and 1,2-dimethylcyclooctanes, Neftekhimiya, 1974, 14, 673-676. [all data]

Allinger and Pamphilis, 1973
Allinger, N.L.; Pamphilis, N.A., Conformational analysis. 89. Sterochemical studies of some dimethylated six- and seven-membered-ring hydrocarbons, J. Org. Chem., 1973, 38, 316-319. [all data]

Mann, Muhlstadt, et al., 1968
Mann, G.; Muhlstadt, M.; Muller, R.; Kern, E.; Hadeball, W., Conformation and physical data of alkanes and cyclanes. V. Dimethylcycloheptanes, Tetrahedron, 1968, 24, 6941-6949. [all data]

Schomburg, 1966
Schomburg, G., Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe, J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4 . [all data]


Notes

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