Acetic acid, cyclohexyl ester

• Formula: C₈H₁₄O₂
• Molecular weight: 142.1956
• IUPAC Standard InChI: InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3 Copy

  
• IUPAC Standard InChIKey: YYLLIJHXUHJATK-UHFFFAOYSA-N Copy
• CAS Registry Number: 622-45-7
• 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: Cyclohexyl acetate; Cyclohexanol, acetate; Cyclohexanolazetat; Cyclohexanyl acetate; Hexalin acetate; Cyclohexylester kyseliny octove; UN 2243; Cyclohexyl ester of acetic acid; Acetoxycyclohexane; NSC 8772
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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: Donald R. Burgess, Jr.

Condensed 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Enthalpy of fusion

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• LIQUID; Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm^-1 resolution
• SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, AND 10% CCl4 FOR 650-250 CM^-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Simirskii, Kozyro, et al., 1993
Simirskii, V.V.; Kozyro, A.A.; Kabo, G.Ya.; Yursha, I.A.; Marachuk, L.I., Thermodynamic properties and saponification kinetics of cyclohexyl acetate, J. Appl. Chem. USSR, 1993, 65, 1348-1353, In original 1638. [all data]

Sayar, Tatli, et al., 1991
Sayar, A.A.; Tatli, B.; Dramur, U., Liquid-Liquid Equilibria of the Water + Acetic Acid + Cyclohexyl Acetate Ternary, J. Chem. Eng. Data, 1991, 36, 378. [all data]

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]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Othmer, 1943
Othmer, D.F., Composition of vapors from boiling binary solutions, Ind. Eng. Chem., 1943, 35, 614-20. [all data]

Kabo, Kozyro, et al., 1999
Kabo, G.J. (see Kabo; Kozyro, A.A.; Frenkel, M. (see frenke ml); Blokhin, A.V., Solid Phase Transitions of the Cyclohexane Derivatives and the Model of Energy States of Molecules in Plastic Crystals, Mol. Cryst. Liq. Cryst., 1999, 326, 333-5. [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]

Sheehan and Langer, 1969
Sheehan, Richard J.; Langer, Stanley H., Vapor pressures of fluorine- and silicon-containing derivatives of some hydroxylic compounds, J. Chem. Eng. Data, 1969, 14, 2, 248-250, https://doi.org/10.1021/je60041a011 . [all data]

Kabo, Kozyro, et al., 1999, 2
Kabo, G.J.; Kozyro, A.A.; Frenkel, M.; Blokhin, A.V., Solid Phase Transitions of the Cyclohexane Derivatives and the Model of Energy States of Molecules in Plastic Crystals, Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 1999, 326, 1, 333-355, https://doi.org/10.1080/10587259908025424 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Ttriple	Triple point temperature
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔfusH	Enthalpy 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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