Acetic acid, cyclohexyl ester

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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.

Quantity Value Units Method Reference Comment
Δfgas-121.2 ± 0.72kcal/molN/ASimirskii, Kozyro, et al., 1993Value computed using ΔfHliquid° value of -558.9±3 kj/mol from Simirskii, Kozyro, et al., 1993 and ΔvapH° value of 51.73±0.23 kj/mol from missing citation.

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

Quantity Value Units Method Reference Comment
Δfliquid-133.59 ± 0.71kcal/molCcbSimirskii, Kozyro, et al., 1993 
Quantity Value Units Method Reference Comment
Δcliquid-1097.03 ± 0.66kcal/molCcbSimirskii, Kozyro, et al., 1993Corresponding Δfliquid = -133.58 kcal/mol (simple calculation by NIST; no Washburn corrections)

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

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
Δvap12.6 ± 0.7kcal/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
11.2383.A,EBStephenson and Malanowski, 1987Based on data from 368. to 446. K. See also Sheehan and Langer, 1969.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference
368.7 to 445.44.81671959.7-39.6Sheehan and Langer, 1969

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.9224.6Kabo, 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

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Data compiled by: Coblentz Society, Inc.

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


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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Mass spectrum
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Additional Data

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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

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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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