Cyclohexane, 1,3,5-trimethyl-, (1α,3α,5β)-

• Formula: C₉H₁₈
• Molecular weight: 126.2392
• IUPAC Standard InChI: InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3/t7-,8-,9- Copy

  
• IUPAC Standard InChIKey: ODNRTOSCFYDTKF-FBJIGQNJSA-N Copy
• CAS Registry Number: 1795-26-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Species with the same structure:
  • trans-1,3,5-Trimethylcyclohexene
• Stereoisomers:
  • Cyclohexane, 1,3,5-trimethyl-, (1α,3α,5α)-
  • Cyclohexane, 1,3,5-trimethyl-
  • cis-1,3,5-Trimethylcyclohexene
  • cis,cis,cis-1.3.5-Trimethylcyclohexane
• Other names: Cyclohexane, 1,3,5-trimethyl-, trans-; 1-trans-3,5-Trimethylcyclohexane; 1,cis-3,trans-5-Trimethylcyclohexane; cis,cis,trans-1,3,5-trimethylcyclohexane; 1,3(Z),5(E)-Trimethylcyclohexane; 1,3,5-trans-Trimethylcyclohexane; trans-1,3,5-Trimethylcyclohexane; Cyclohexane, 1,3,5-trimethyl-, (1α,3α,5β)-trans
• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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, Chris Muzny director

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

2 + 6 =  + 

By formula: 2C₉H₁₂ + 6H₂ = C₉H₁₈ + C₉H₁₈

=

By formula: C₉H₁₈ = C₉H₁₈

=

By formula: C₉H₁₈ = C₉H₁₈

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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

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.

Egan and Buss, 1959
Egan, C.J.; Buss, W.C., Determination of the equilibrium constants for the hydrogenation of mesitylene. The thermodynamic properties of the 1,3,5-trimethylcyclohexanes, J. Phys. Chem., 1959, 63, 1887-1889. [all data]

Chiurdoglu, 1951
Chiurdoglu, G., Determination of cis-trans isomerism in cyclanes by means of the chiurdoglu rule: II pairs of trisubstituted stereoisomers, Bull. Soc. Chim. Belg., 1951, 60, 39. [all data]

Chiurdoglu, Fierens, et al., 1950
Chiurdoglu, G.; Fierens, P.J.C.; Henkert, C., Equilibrium Isomerization of Cyclic Hydrocarbons II. Isomerization by Aluminum Chloride of Cyclophentane and Cyclohexane Hydrocarbons, C9H18, Bull. Soc. Chim. Belg., 1950, 59, 156. [all data]

Anonymous, 1949
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Ohio State Univ., 1949. [all data]

Chiurdoglu, 1944
Chiurdoglu, G., Bull. Soc. Chim. Belg., 1944, 53, 55. [all data]

Streiff, Schultz, et al., 1960
Streiff, A.J.; Schultz, L.H.; Krouskop, N.C.; Moore, J.W.; Rossini, F.D., Purification, Purity, and Freezing Points of 16 API Standard and API Research Hydrocarbons, J. Chem. Eng. Data, 1960, 5, 193-5. [all data]

Timmermans, 1952
Timmermans, J., Freezing points of organic compounds. VVI New determinations., Bull. Soc. Chim. Belg., 1952, 61, 393. [all data]

Powell, Swinton, et al., 1970
Powell, R.J.; Swinton, F.L.; Young, C.L., The thermodynamic properties of fluorocarbon-hycrocarbon mixtures 3. Gas- Liquid critical temperatures and a comparison with the theory of Rowlinson and Sutton, J. Chem. Thermodyn., 1970, 2, 105. [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]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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