Cyclohexane, chloro-

• Formula: C₆H₁₁Cl
• Molecular weight: 118.605
• IUPAC Standard InChI: InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2 Copy

  
• IUPAC Standard InChIKey: UNFUYWDGSFDHCW-UHFFFAOYSA-N Copy
• CAS Registry Number: 542-18-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Chlorocyclohexane; Cyclohexyl chloride; Monochlorocyclohexane
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Enthalpy of vaporization

Enthalpy of fusion

Entropy of fusion

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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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.

Timmermans and Hennaut-Roland, 1955
Timmermans, J.; Hennaut-Roland, M., Work of the International Bureau of Physical-Chemical Standards. IX. The Physical Constants of Twenty Organic Compounds, J. Chim. Phys. Phys.-Chim. Biol., 1955, 52, 223. [all data]

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

Crowe and Smyth, 1951
Crowe, R.W.; Smyth, C.P., J. Am. Chem. Soc., 1951, 73, 5406. [all data]

White and Bishop, 1940
White, A.H.; Bishop, W.S., Dielectric Evidence of Molecular Rotation in the Crystals of Certain Non-aromatic Compounds, J. Am. Chem. Soc., 1940, 62, 8-16. [all data]

Van de Vloed, 1939
Van de Vloed, A., Bull. Soc. Chim. Belg., 1939, 48, 229. [all data]

Diky, Kabo, et al., 1994
Diky, V.V.; Kabo, G.J.; Kozyro, A.A.; Krasulin, A.P.; Sevruk, V.M., Thermodynamic properties of crystalline and liquid chlorocyclohexane and inversion of ring, J. Chem. Thermodyn., 1994, 26, 9, 1001, https://doi.org/10.1006/jcht.1994.1117 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Andreevskii, Brazhnikov, et al., 1969
Andreevskii, D.N.; Brazhnikov, M.M.; Il'inchik, V.N., Vestn. Beloruss. Univ., 1969, 2, 1, 3. [all data]

Singh and Murthy, 2008
Singh, L.P.; Murthy, S.S.N., Dielectric and Calorimetric Study of Orientationally Disordered Phases in Two Unusual Two-Component Systems, J. Phys. Chem. B, 2008, 112, 9, 2606-2615, https://doi.org/10.1021/jp077663o . [all data]

Diky, Kabo, et al., 1994, 2
Diky, V.V.; Kabo, G.J.; Kozyro, A.A.; Krasulin, A.P.; Sevruk, V.M., Thermodynamic properties of crystalline and liquid chlorocyclohexane and inversion of ring, J. Chem. Thermodyn., 1994, 26, 1001-1013. [all data]

Kozyro, Kabo, et al., 1992
Kozyro, A.A.; Kabo, G.J.; Krouk, V.S.; Sheiman, M.S.; Yursha, I.A.; Simirsky, V.V.; Krasulin, A.P.; Sevruk, V.M.; Gogolinsky, V.I., Thermodynamic properties of cyclohexanone oxime, J. Chem. Thermodyn., 1992, 24, 8, 883, https://doi.org/10.1016/S0021-9614(05)80233-2 . [all data]

Notes

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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