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

Quantity Value Units Method Reference Comment
Δfgas-142. ± 3.kJ/molCcbCarson, Fine, et al., 1971see Adams, Fine, et al., 1967
Δfgas-152.0 ± 4.7kJ/molCcbKiparisova and Rabinovich, 1971Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -151. ± 4.6 kJ/mol
Δfgas-150.kJ/molCcbFine and Gray, 1967 

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
Δfsolid-241. ± 2.kJ/molCcbCarson, Fine, et al., 1971see Adams, Fine, et al., 1967
Δfsolid-241. ± 3.kJ/molCcbKiparisova and Rabinovich, 1971 
Δfsolid-238. ± 15.kJ/molCcbFine and Gray, 1967 
Quantity Value Units Method Reference Comment
Δcsolid-6304. ± 3.kJ/molCcbKiparisova and Rabinovich, 1971Corresponding Δfsolid = -241. kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-6309. ± 15.kJ/molCcbFine and Gray, 1967Corresponding Δfsolid = -236. kJ/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:
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

Quantity Value Units Method Reference Comment
Tboil571.7KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus344.15KN/ABeringer, Brierley, et al., 1953Uncertainty assigned by TRC = 1.5 K; TRC
Tfus341.KN/AReychler, 1908Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Δsub99.0 ± 0.4kJ/molN/ACarson, Fine, et al., 1971, 2AC
Δsub99.0 ± 0.4kJ/molVCarson, Fine, et al., 1971see Adams, Fine, et al., 1967; ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
62.4394.AStephenson and Malanowski, 1987Based on data from 379. to 587. K. See also Stull, 1947.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
380.0 to 587.4.726552579.911-40.606Stull, 1947Coefficents calculated by NIST from author's data.

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:


References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Carson, Fine, et al., 1971
Carson, A.S.; Fine, D.H.; Gray, P.; Laye, P.G., Standard enthalpies of formation of diphenyl oxalate and benzoic anhydride and some related bond dissociation energies, J. Chem. Soc. B, 1971, 1611-1615. [all data]

Adams, Fine, et al., 1967
Adams, G.P.; Fine, D.H.; Gray, P.; Laye, P.G., Heat of formation of phenyl benzoate and related bond dissociation energies, J. Chem. Soc. B, 1967, 720-722. [all data]

Kiparisova and Rabinovich, 1971
Kiparisova, E.G.; Rabinovich, I.B., Thermochemistry of a series of acyl peroxides, Dokl. Phys. Chem. (Engl. Transl.), 1971, 199, 675-677, In original 1075. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Fine and Gray, 1967
Fine, D.H.; Gray, P., Explosive decomposition of solid benzoyl peroxide, Combust. Flame, 1967, 11, 71-78. [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]

Beringer, Brierley, et al., 1953
Beringer, F.M.; Brierley, A.; Drexler, M.; Gindler, E.M.; Lumpkin, C.C., Diaryliodonium Salts II. The Phenylation of Organic and Inorganic Bases, J. Am. Chem. Soc., 1953, 75, 2708. [all data]

Reychler, 1908
Reychler, A., The Production and Preparation of Esters, Chem. Centr. I, 1908, 1908, 1042. [all data]

Carson, Fine, et al., 1971, 2
Carson, A.S.; Fine, D.H.; Gray, P.; Laye, P.G., Standard enthalpies of formation of diphenyl oxalate and benzoic anhydride and some related bond dissociation energies, J. Chem. Soc., B:, 1971, 1611, https://doi.org/10.1039/j29710001611 . [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]


Notes

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