Benzoic acid, 4-methyl-

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid-102.6 ± 0.36kcal/molCcbColomina, Jimenez, et al., 1986see Colomina, Boned, et al., 1961; ALS
Δfsolid-102.58 ± 0.26kcal/molCcbCorral, 1960Different experiments; ALS
Δfsolid-101.17 ± 0.90kcal/molCcbBreitenbach and Derkosch, 1951Reanalyzed by Cox and Pilcher, 1970, Original value = -101.0 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcsolid-923.1 ± 0.2kcal/molCcbColomina, Jimenez, et al., 1986see Colomina, Boned, et al., 1961; Corresponding Δfsolid = -102.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-923.10 ± 0.22kcal/molCcbCorral, 1960Different experiments; Corresponding Δfsolid = -102.57 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-924.5kcal/molCcbBreitenbach and Derkosch, 1951Corresponding Δfsolid = -101.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
40.39298.Andrews, Lynn, et al., 1926T = 22 to 225 C.; DH

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil547.7KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus455.KN/ASugunan and Thomas, 1993Uncertainty assigned by TRC = 2. K; TRC
Tfus450.15KN/AIpatieff, Corson, et al., 1936Uncertainty assigned by TRC = 2.5 K; TRC
Tfus452.8KN/AAndrews, Lynn, et al., 1926, 2Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Δsub23.6 ± 0.1kcal/molMEMonte, Almeida, et al., 2004Based on data from 320. to 337. K.; AC
Δsub23.6 ± 0.07kcal/molMEColomina, Jimenez, et al., 1986, 2Based on data from 318. to 337. K.; AC
Δsub23.6 ± 0.07kcal/molVColomina, Jimenez, et al., 1986see Colomina, Boned, et al., 1961; ALS
Δsub23.6kcal/molN/AColomina, Jimenez, et al., 1986DRB

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
5.430452.8Acree, 1991AC
5.4302452.8Andrews, Lynn, et al., 1926DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
12.0452.8Andrews, Lynn, et al., 1926DH

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


UV/Visible spectrum

Go To: Top, 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Lang (editor), 1969
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19057
Instrument Unicam SP 700
Melting point 176-178

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, UV/Visible spectrum, 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., 1986
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., Propiedades termoquimicas de derivados del acido benzoico. XIII. Presiones de vapor y entalpias de sublimacion y formacion de los acidos toluicos, An. Quim., 1986, 82, 126-130. [all data]

Colomina, Boned, et al., 1961
Colomina, M.; Boned, M.L.; Turrion, C., Investigaciones termoquimicas sobre los acidos alquilbenzoicos. I. Acidos toluicos, An. Fis. Quim., 1961, 57, 655-664. [all data]

Corral, 1960
Corral, L.B., Investigaciones termoquimicas sobre los acidos toluicos y dimetilbenzoicos, Rev. R. Acad. Cienc., 1960, 54, 365-403. [all data]

Breitenbach and Derkosch, 1951
Breitenbach, J.W.; Derkosch, J., Verbrennungswarmen von peroxyden und verwandten verbindungen sowie von polystrolen, Monatsh. Chem., 1951, 82, 177-179. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J., The heat capacities and heat of crystallization of some isomeric aromatic compounds, J. Am. Chem. Soc., 1926, 48, 1274-1287. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Sugunan and Thomas, 1993
Sugunan, S.; Thomas, B., Salting Coefficients of 2-, 3-, and 4-Methylbenzoic Acids, J. Chem. Eng. Data, 1993, 38, 520-1. [all data]

Ipatieff, Corson, et al., 1936
Ipatieff, V.N.; Corson, B.B.; Pines, H., Influence of Sulfuric Acid Concentration upon Reaction between Olefins and Benzene, J. Am. Chem. Soc., 1936, 58, 919-22. [all data]

Andrews, Lynn, et al., 1926, 2
Andrews, D.H.; Lynn, G.; Johnston, J., The Heat Capacities and Heat of Crystallization of Some Isomeric Aromatic Compounds, J. Am. Chem. Soc., 1926, 48, 1274. [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]

Colomina, Jimenez, et al., 1986, 2
Colomina, M.; Jimenez, P.; Roux, M.V.; Turrion, C., Propiedades termoquimicas de derivados del acido benzoico. XIII. Presiones de vapor y entalpias de sublimacion y formacion de los acidos toluicos, An. Quim., 1986, 82, 126. [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Lang (editor), 1969
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1969, 12, 33. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, UV/Visible spectrum, References