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1,3-Cyclohexadiene, 1-methyl-

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Phase change 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: Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director

Quantity Value Units Method Reference Comment
Tboil371.2KN/AFoehr and Fenske, 1949Uncertainty assigned by TRC = 1. K

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

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

By formula: C7H10 = C7H10

Quantity Value Units Method Reference Comment
Deltar10. ± 3.kJ/molKinDoering, Roth, et al., 1991gas phase; At 603 K

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

By formula: C7H10 = C7H10

Quantity Value Units Method Reference Comment
Deltar3. ± 4.6kJ/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+10.67CH3EIGorfinkel', Isaev, et al., 1969 

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
CapillarySE-3080.771.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm

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

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Column type Active phase I Reference Comment
PackedSE-30791.Buchman, Cao, et al., 1984He, Chromosorb AW; Column length: 3.05 m; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.771.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Phase change data, 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.

Foehr and Fenske, 1949
Foehr, E.G.; Fenske, M.R., Magneto-optic Rotation of Hydrocarbons, Ind. Eng. Chem., 1949, 41, 1956. [all data]

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]

Gorfinkel', Isaev, et al., 1969
Gorfinkel', M.I.; Isaev, I.S.; Shleider, I.A.; Koptyug, V.A., Structure of C6H7+ ions in the mass spectra of cyclohexadienes and their monomethyl derivatives. III. C6H7+ ions from 1-methyl-13C 1,3- and -1,4-cyclohexadienes and 5-methyl-1,3-cyclohexadiene, Zh. Obahch. Khim., 1969, 39, 1363. [all data]

Bredael, 1982
Bredael, P., Retention indices of hydrocarbons on SE-30, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610 . [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]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

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