1,1,4-Trimethylcyclohexane

• Formula: C₉H₁₈
• Molecular weight: 126.2392
• IUPAC Standard InChI: InChI=1S/C9H18/c1-8-4-6-9(2,3)7-5-8/h8H,4-7H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: UIWORXHEVNIOJG-UHFFFAOYSA-N Copy
• CAS Registry Number: 7094-27-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Cyclohexane, 1,1,4-trimethyl-
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - 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

3 +  =

By formula: 3H₂ + C₉H₁₂ = 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

Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Chiurdoglu and Maquestiau, 1951
Chiurdoglu, G.; Maquestiau, A., Bull. Soc. Chim. Belg., 1951, 60, 47. [all data]

Doering, Birladeanu, et al., 1996
Doering, W.E.; Birladeanu, L.; Sarma, K.; Shao, L., The cyclohexadienyl radical in the thermal syn-arti isomerization of two crossed pentaenes of the type of bis-homofulvalene, J. Am. Chem. Soc., 1996, 118, 6660-6665. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔrH°	Enthalpy of reaction at standard conditions

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