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Benzonitrile

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

Quantity Value Units Method Reference Comment
Tboil464. ± 1.KAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus263. ± 20.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple260.33KN/ALebedev, Bykova, et al., 1985Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple260.33KN/ALebedev, Bykova, et al., 1984Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple260.33KN/ABykova, Lebedev, et al., 1983Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc701. ± 4.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc41.60atmN/ASteele, Chirico, et al., 1994Uncertainty assigned by TRC = 0.04 atm; TRC
Pc41.65atmN/AGuye and Mallet, 1902Uncertainty assigned by TRC = 0.99995 atm; TRC
Pc41.6000atmN/AGuye and Mallet, 1902, 2Uncertainty assigned by TRC = 1.5000 atm; TRC
Pc41.6000atmN/AGuye and Mallet, 1902, 2Uncertainty assigned by TRC = 1.5000 atm; TRC
Quantity Value Units Method Reference Comment
rhoc3.037mol/lN/ASteele, Chirico, et al., 1994Uncertainty assigned by TRC = 0.03 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap13.26kcal/molVEvans and Skinner, 1959ALS
Deltavap13.3kcal/molN/AEvans and Skinner, 1959DRB

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
342.0.013Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
11.7316.AStephenson and Malanowski, 1987Based on data from 301. - 464. K. See also Stull, 1947.; 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 Comment
301.4 - 463.84.848302110.572-28.331Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
2.6243260.33Lebedev, Bykova, et al., 1985DH
2.6243260.332Lebedev, Bykova, et al., 1984, 2DH
2.6243260.33Bykova, Lebedev, et al., 1983, 2DH
2.624260.3Lebedev, Bykova, et al., 1985, 2AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
10.08260.33Lebedev, Bykova, et al., 1985DH
10.08260.332Lebedev, Bykova, et al., 1984, 2DH
10.08260.33Bykova, Lebedev, et al., 1983, 2DH

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, Phase change data, Notes

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

Lebedev, Bykova, et al., 1985
Lebedev, B.V.; Bykova, T.A.; Kiparisova, Y.G.; Chernomordik, Yu.A.; Kurapov, A.S.; Sergeev, V.A., Thermodynamic study of benzonitrile, the process of its cocyclotrimerization with phenylacetylene, and the resulting 2,4,6-triphenylpyridine at 0-300 K, Izv. Akad. Nauk SSSR, Ser. Khim., 1985, (2), 301-306. [all data]

Lebedev, Bykova, et al., 1984
Lebedev, B.V.; Bykova, T.A.; Kiparisova, E.G.; Pankratov, V.A.; Mitina, L.M.; Korshak, V.V., Thermodynamics of Benzonitrile, Its Cyclotrimerization and the Resulting Triphenyltriazine in the 0-330 K Range, Zh. Obshch. Khim., 1984, 54, 1352. [all data]

Bykova, Lebedev, et al., 1983
Bykova, T.A.; Lebedev, B.V.; Tarasov, E.N., Thermodynamics of benzonitrile in the range 0-330 K, Termodin. Org. Soedin., 1983, 48-52. [all data]

Steele, Chirico, et al., 1994
Steele, W.V.; Chirico, R.D.; Hossenlopp, I.A.; Knipmeyer, S.E.; Nguyen, A.; Smith, N.K., DIPPR project 871. Determination of ideal-gas enthalpies of formation for key compounds. The 1990 project results, Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Ser. No. 2, p. 188-215. [all data]

Guye and Mallet, 1902
Guye, P.A.; Mallet, E., Critical Constant and Molecular Complexity of Several Organic Compds., C. R. Hebd. Seances Acad. Sci., 1902, 133, 168. [all data]

Guye and Mallet, 1902, 2
Guye, P.A.; Mallet, E., Measurement of Critical Constants, Arch. Sci. Phys. Nat., 1902, 13, 274-296. [all data]

Evans and Skinner, 1959
Evans, F.W.; Skinner, H.A., The heats of combustion of organic compounds of nitrogen Part 2.-n-Propyl, isopropyl and phenyl cyandies, Trans. Faraday Soc., 1959, 55, 255-259. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [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]

Lebedev, Bykova, et al., 1984, 2
Lebedev, B.V.; Bykova, T.A.; Kiparisova, Y.G.; Pankratov, V.A.; Mitina, L.M.; Korshak, V.V., Thermodynamics of benzonitrile, of its cyclotrimerization process, and of the triphenyl-s-triazine formed in the range 0-330°K, Zhur. Obsch. Khim., 1984, 54, 1352-1358. [all data]

Bykova, Lebedev, et al., 1983, 2
Bykova, T.A.; Lebedev, B.V.; Tarasov, E.N., Thermodynamics of benzonitrile in the range, 1983, Termodin. [all data]

Lebedev, Bykova, et al., 1985, 2
Lebedev, B.V.; Bykova, T.A.; Kiparisova, E.G.; Chernomordik, Yu.A.; Kurapov, A.S.; Sergeev, V.A., Thermodynamic study of benzonitrile, the process of its cocyclotrimerization with phenylacetylene, and the 2,4,6-triphenylpyridine that is formed, in the interval 0-330°K, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1985, 274-279. [all data]


Notes

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