trans-1,2-Dimethylcycloheptane

• Formula: C₉H₁₈
• Molecular weight: 126.2392
• IUPAC Standard InChI: InChI=1S/C9H18/c1-8-6-4-3-5-7-9(8)2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1 Copy

  
• IUPAC Standard InChIKey: CLYDEJQPKBFLJW-IUCAKERBSA-N Copy
• CAS Registry Number: 13151-50-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • cis-1,2-Dimethylcycloheptane
  • 1,2-dimethylcycloheptane
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• Information on this page:
  • Reaction thermochemistry data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
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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

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

=

By formula: C₉H₁₈ = C₉H₁₈

=

By formula: C₉H₁₈ = C₉H₁₈

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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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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• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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