Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

Acetic acid, cyclohexyl ester

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-507.2 ± 3.0kJ/molN/ASimirskii, Kozyro, et al., 1993Value computed using «DELTA»fHliquid° value of -558.9±3 kj/mol from Simirskii, Kozyro, et al., 1993 and «DELTA»vapH° value of 51.73±0.23 kj/mol from missing citation.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-558.9 ± 3.0kJ/molCcbSimirskii, Kozyro, et al., 1993 
Quantity Value Units Method Reference Comment
Deltacliquid-4590.0 ± 2.8kJ/molCcbSimirskii, Kozyro, et al., 1993Corresponding «DELTA»fliquid = -558.91 kJ/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

Quantity Value Units Method Reference Comment
Tboil446.26KN/ASayar, Tatli, et al., 1991Uncertainty assigned by TRC = 0.2 K; TRC
Tboil446.2KN/AWeast and Grasselli, 1989BS
Tboil447.KN/AAmerican Tokyo Kasei, 1988BS
Tboil450.2KN/AOthmer, 1943Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple224.64KN/AKabo, Kozyro, et al., 1999Crystal phase 1 phase; Uncertainty assigned by TRC = 0.15 K; TRC
Quantity Value Units Method Reference Comment
Deltavap53. ± 3.kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
46.7383.A,EBStephenson and Malanowski, 1987Based on data from 368. - 446. K. See also Sheehan and Langer, 1969.; AC

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference
368.7 - 445.44.82241959.7-39.6Sheehan and Langer, 1969

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.0224.6Kabo, Kozyro, et al., 1999, 2AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW- 20
NIST MS number 227552

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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

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