1,3-Cyclohexadiene, 5-methyl-

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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

1,3-Cyclohexadiene, 5-methyl- = 1,3-Cyclohexadiene, 1-methyl-

By formula: C7H10 = C7H10

Quantity Value Units Method Reference Comment
Δr2.5 ± 0.8kcal/molKinDoering, Roth, et al., 1991gas phase; At 603 K

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 compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C7H10+ (ion structure unspecified)

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H7+10.6CH3EIHarrison, Haynes, et al., 1965 

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
PackedSqualane70.763.Safina, Poznyak, et al., 1989He, Risorb (0.2-0.3 mm); Column length: 2. m

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedSE-30730.Buchman, Cao, et al., 1984He, Chromosorb AW; Column length: 3.05 m; Program: not specified

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, Notes

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

Doering, Roth, et al., 1991
Doering, W.E.; Roth, W.R.; Bauer, F.; Boenke, M.; Breuckmann, R.; Ruhkamp, J.; Wortmann, O., Rotationsbarrieren Vinyl-substituierter Olefine, Chem. Ber., 1991, 124, 1461-1470. [all data]

Harrison, Haynes, et al., 1965
Harrison, A.G.; Haynes, P.; McLean, S.; Meyer, F., The mass spectra of methyl-substituted cyclopentadienes, J. Am. Chem. Soc., 1965, 87, 5099. [all data]

Safina, Poznyak, et al., 1989
Safina, L.R.; Poznyak, T.I.; Lisitsyn, D.M.; Kiseleva, E.V.; Kovalev, G.I., Selective gas-chromatographic determination of trace unsaturated and aromatic-hydrocarbons in complex-mixtures, J. Appl. Chem. USSR (Engl. Transl.), 1989, 44, 5, 749-754. [all data]

Buchman, Cao, et al., 1984
Buchman, O.; Cao, G.-Y.; Peng, C.T., Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenes, J. Chromatogr., 1984, 312, 75-90, https://doi.org/10.1016/S0021-9673(01)92765-7 . [all data]


Notes

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