Formic acid, cyclohexyl ester

• Formula: C₇H₁₂O₂
• Molecular weight: 128.1690
• IUPAC Standard InChI: InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2 Copy

  
• IUPAC Standard InChIKey: VUXKVKAHWOVIDN-UHFFFAOYSA-N Copy
• CAS Registry Number: 4351-54-6
• 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 formate; Cyclohexyl ester of formic acid; Formic acid, cyclohexyl ester (purified)
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Enthalpy 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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

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

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

Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, custom temperature program

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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.

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]

Paulechka, Zaitsau, et al., 2004
Paulechka, Y.U.; Zaitsau, Dz.H.; Kabo, G.J., On the difference between isobaric and isochoric heat capacities of liquid cyclohexyl esters, Journal of Molecular Liquids, 2004, 115, 2-3, 105-111, https://doi.org/10.1016/j.molliq.2004.03.002 . [all data]

Zaitsau, Verevkin, et al., 2003
Zaitsau, Dzmitry H.; Verevkin, Sergey P.; Paulechka, Yauheni U.; Kabo, Gennady J.; Sevruk, Viktor M., Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters, J. Chem. Eng. Data, 2003, 48, 6, 1393-1400, https://doi.org/10.1021/je025634v . [all data]

Steyer and Sundmacher, 2005
Steyer, Frank; Sundmacher, Kai, VLE and LLE Data Set for the System Cyclohexane + Cyclohexene + Water + Cyclohexanol + Formic Acid + Formic Acid Cyclohexyl Ester, J. Chem. Eng. Data, 2005, 50, 4, 1277-1282, https://doi.org/10.1021/je050023z . [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]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Narain, Galvao, et al., 2007
Narain, N.; Galvao, M. deS.; Ferreira, D.DaS.; Navarro, D.M.A.F., Flavor biogeneration in Mangaba (Hancornia speciosa Gomes) fruit, BioEng. Campinas, 2007, 1, 1, 25-31. [all data]

Notes

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• Symbols used in this document:
  

  Ttriple	Triple point temperature
  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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