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4-Ethylbenzoic acid

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-355.6 ± 1.9kJ/molCcbColomina, Jimenez, et al., 1984see Colomina, Jimenez, et al., 1976

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
Deltafsolid-454.5 ± 1.9kJ/molCcbColomina, Jimenez, et al., 1984see Colomina, Jimenez, et al., 1976

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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tfus384.7KN/AChickos, Braton, et al., 1991Uncertainty assigned by TRC = 0.001 K; TRC
Quantity Value Units Method Reference Comment
Deltasub101.2 ± 0.8kJ/molMEMonte, Almeida, et al., 2004Based on data from 321. - 335. K.; AC
Deltasub98.9 ± 0.2kJ/molVColomina, Jimenez, et al., 1984see Colomina, Jimenez, et al., 1976; ALS
Deltasub98.9kJ/molN/AColomina, Jimenez, et al., 1984DRB
Deltasub98.9 ± 0.2kJ/molMEColomina, Jimenez, et al., 1984AC
Deltasub97.5 ± 2.5kJ/molMEColomina, Jimenez, et al., 1976Based on data from 320. - 329. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
98.2319.5MEStephenson and Malanowski, 1987Based on data from 310. - 329. K. See also Colomina, Jimenez, et al., 1976.; AC
97.6 ± 0.2321.MEColomina, Jimenez, et al., 1984Based on data from 311. - 330. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
14.06386.2Chickos, Braton, et al., 1991, 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 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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner SRD/NIST
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin EPA-IR VAPOR PHASE LIBRARY
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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

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Mass spectrum
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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 NIST Mass Spectrometry Data Center
NIST MS number 343125

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.

Colomina, Jimenez, et al., 1984
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., Thermochemistry of p-ethylbenzoic acid, J. Chem. Thermodyn., 1984, 16, 379-384. [all data]

Colomina, Jimenez, et al., 1976
Colomina, M.; Jimenez, P.; Perez-Ossorio, R.; Turrion, C., Thermochemical properties of alkylbenzoic acids VI. Enthalpies of combustion and formation of the o-, m-, and p-ethylbenzoic acids, J. Chem. Thermodyn., 1976, 8, 439-444. [all data]

Chickos, Braton, et al., 1991
Chickos, J.S.; Braton, C.M.; Hesse, D.G.; Liebman, J.F., Estimating entropies and enthalpies of fusion of organic compounds, J. Org. Chem., 1991, 56, 3, 927, https://doi.org/10.1021/jo00003a007 . [all data]

Monte, Almeida, et al., 2004
Monte, Manuel J.S.; Almeida, Ana R.R.P.; Ribeiro da Silva, Manuel A.V., Thermodynamic study of the sublimation of eight 4-n-alkylbenzoic acids, The Journal of Chemical Thermodynamics, 2004, 36, 5, 385-392, https://doi.org/10.1016/j.jct.2004.02.001 . [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]

Chickos, Braton, et al., 1991, 2
Chickos, James S.; Braton, C. Marie; Hesse, Donald G.; Liebman, Joel F., Estimating entropies and enthalpies of fusion of organic compounds, J. Org. Chem., 1991, 56, 3, 927-938, https://doi.org/10.1021/jo00003a007 . [all data]


Notes

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