Acetic acid, hexyl ester

• Formula: C₈H₁₆O₂
• Molecular weight: 144.2114
• IUPAC Standard InChI: InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: AOGQPLXWSUTHQB-UHFFFAOYSA-N Copy
• CAS Registry Number: 142-92-7
• 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.
• Isotopologues:
  • hexyl-d3 acetate
• Other names: n-Hexyl acetate; Hexyl acetate; Hexyl ethanoate; 1-Hexyl acetate; Acetic acid n-hexyl ester; n-Hexyl ethanoate; Hexyl alcohol, acetate; Hexylester kyseliny octove; Hexyl ester of acetic acid; NSC 7323; FEMA No. 2565
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Henry's Law data
  • Ion clustering data
  • IR Spectrum
  • Gas Chromatography
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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: Eugene S. Domalski and Elizabeth D. Hearing

Error: Bad or missing data.

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
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Enthalpy of fusion

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes

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, Condensed phase thermochemistry data, Phase change data, 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.

Vasil'ev and Petrov, 1984
Vasil'ev, I.A.; Petrov, V.M., Thermodynamic Properties of Oxygen-containing Organic Compounds, Handbook, Soedinenii: Khimya, Leningrad, p 240, 1984. [all data]

Bilterys and Gisseleire, 1935
Bilterys, R.; Gisseleire, J., Investigations on the Congelation Temperature of Organic Compounds, Bull. Soc. Chim. Belg., 1935, 44, 567. [all data]

Krasnykh, Verevkin, et al., 2006
Krasnykh, Eugen L.; Verevkin, Sergey P.; Koutek, Bohumir; Doubsky, Jan, Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates, The Journal of Chemical Thermodynamics, 2006, 38, 6, 717-723, https://doi.org/10.1016/j.jct.2005.08.003 . [all data]

Koutek, Hoskovec, et al., 1997
Koutek, Bohumír; Hoskovec, Michal; Vrkocová, Pavlína; Feltl, Ladislav, Gas chromatographic determination of vapour pressures of pheromone-like compounds IV. Acetates, a reinvestigation, Journal of Chromatography A, 1997, 759, 1-2, 93-109, https://doi.org/10.1016/S0021-9673(96)00775-3 . [all data]

Arce, Blanco, et al., 1995
Arce, Alberto; Blanco, Antonio; Martinez-Ageitos, Jose; Soto, Ana, Isobaric Vapor-Liquid Equilibria of Methanol + Hexyl Acetate and Ethanol + Hexyl Acetate, J. Chem. Eng. Data, 1995, 40, 2, 515-518, https://doi.org/10.1021/je00018a036 . [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]

Meyer, Awe, et al., 1980
Meyer, Edwin F.; Awe, Michael J.; Wagner, Robert E., Cohesive energies in polar organic liquids. 4. n-Alkyl acetates, J. Chem. Eng. Data, 1980, 25, 4, 371-374, https://doi.org/10.1021/je60087a030 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  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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