Cyclohexane, 1,2-dimethyl-, cis-

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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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
gas374.34J/mol*KN/AHuffman H.M., 1949 

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
39.4650.Thermodynamics Research Center, 1997p=1 bar. There is an appreciable difference, mainly at high temperatures, with values estimated earlier by a method of increments [ Beckett C.W., 1947].
64.53100.
84.76150.
103.4200.
137.7273.15
151.2298.15
152.3300.
208.3400.
259.3500.
302.2600.
338.0700.
368.1800.
393.7900.
415.51000.
434.11100.
450.01200.
463.61300.
475.41400.
485.51500.
505.21750.
519.32000.
529.62250.
537.32500.
543.22750.
547.83000.

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

3Hydrogen + o-Xylene = Cyclohexane, 1,2-dimethyl-, cis-

By formula: 3H2 + C8H10 = C8H16

Quantity Value Units Method Reference Comment
Δr-194.6 ± 0.84kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -197.7 ± 0.84 kJ/mol; At 355 °K

Cyclohexane, 1,2-dimethyl-, cis- = Cyclohexane, 1,2-dimethyl-, trans-

By formula: C8H16 = C8H16

Quantity Value Units Method Reference Comment
Δr6.7 ± 0.4kJ/molEqkMann, 1968gas phase; At 593K

Cyclohexane, 1,2-dimethyl-, trans- = Cyclohexane, 1,2-dimethyl-, cis-

By formula: C8H16 = C8H16

Quantity Value Units Method Reference Comment
Δr7. ± 1.kJ/molEqkAnfilogova, Balenkova, et al., 1974gas phase

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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
≤9.78 ± 0.05EIHerzschuh and Sicker, 1981LLK
9.90 ± 0.07EILageot, 1971LLK
10.08 ± 0.02EINatalis, 1964RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H9+12.12 ± 0.05?EINatalis, 1964RDSH
C5H10+11.62 ± 0.08?EINatalis, 1964RDSH
C6H10+10.5 ± 0.12CH3EILageot, 1971LLK
C6H10+10.62 ± 0.04C2H6EINatalis, 1964RDSH
C6H11+11.06 ± 0.02C2H5EINatalis, 1964RDSH
C6H12+11.17 ± 0.02C2H4EINatalis, 1964RDSH
C7H13+10.63 ± 0.05CH3EIHerzschuh and Sicker, 1981LLK
C7H13+10.83 ± 0.05C2H5EIHerzschuh and Sicker, 1981LLK
C7H13+10.55 ± 0.05CH3EILageot, 1971LLK
C7H13+10.78 ± 0.02CH3EINatalis, 1964RDSH

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-1104
NIST MS number 228786

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References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

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

Huffman H.M., 1949
Huffman H.M., Low-temperature thermal data on eight C8H16 alkylcyclohexanes, J. Am. Chem. Soc., 1949, 71, 584-592. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Beckett C.W., 1947
Beckett C.W., The thermodynamic properties and molecular structure of cyclohexane, methylcyclohexane, ethylcyclohexane, and seven dimethylcyclohexanes, J. Am. Chem. Soc., 1947, 69, 2488-2495. [all data]

Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E., Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons, J. Am. Chem. Soc., 1937, 59, 831-841. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Mann, 1968
Mann, G., Conformation and physical data of alkanes and cyclanes. IV. Conformation energy of gauche-anticonformers, Tetrahedron, 1968, 24, 6495-65. [all data]

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]

Herzschuh and Sicker, 1981
Herzschuh, R.; Sicker, A., Stereochemische einflusse auf die ionisations- und auftrittsenergien cis/trans-isomerer dimethylcycloalkane, Z. Chem., 1981, 21, 409. [all data]

Lageot, 1971
Lageot, C., Potentiel d'ionisation, potentiel d'apparition et courbes d'ionisation differentielle pour les 1-2 dimethylcyclohexanes cis et trans, Org. Mass Spectrom., 1971, 5, 839. [all data]

Natalis, 1964
Natalis, P., Etude du comportement d'isomeres geometriques sous l'impact electronique. V. Comparaison des donnees obtenues, par differentes methodes, pour les 1,2-dimethylcyclohexanes cis et trans, Bull. Soc. Chim. Belges, 1964, 73, 961. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References