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Benzene, (trifluoromethyl)-

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil375.0 ± 0.8KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus244.0KN/ADreisbach, 1955Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Ttriple244.14KN/AScott, Douslin, et al., 1959Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple244.14KN/AMcCullough and Waddington, 1957Uncertainty assigned by TRC = 0.07 K; IPTS-48; TRC
Quantity Value Units Method Reference Comment
Tc559.9KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap37.67kJ/molN/AMajer and Svoboda, 1985 
Deltavap37.1kJ/molN/ABoublik, Fried, et al., 1984Based on data from 330. - 410. K. See also Basarová and Svoboda, 1991.; AC
Deltavap37.6kJ/molVScott, Douslin, et al., 1959, 2hfusion=3.294±0.001 kcal/mol; ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
32.63375.2N/AMajer and Svoboda, 1985 
35.6343.N/ADykyj, Svoboda, et al., 1999Based on data from 328. - 413. K.; AC
31.6483.N/ADykyj, Svoboda, et al., 1999Based on data from 468. - 532. K.; AC
35.9338.IJadot and Fraiha, 1992Based on data from 323. - 384. K.; AC
35.7343.A,EBStephenson and Malanowski, 1987Based on data from 328. - 413. K. See also Potter and Saylor, 1951, Dykyj and Vanko, 1970, and Scott, Douslin, et al., 1959, 3.; AC
32.4475.N/AMousa, 1985Based on data from 460. - 530. K.; AC
35.4 ± 0.1334.CScott, Douslin, et al., 1959, 3AC
34.1 ± 0.1353.CScott, Douslin, et al., 1959, 3AC
32.6 ± 0.1375.CScott, Douslin, et al., 1959, 3AC
39.1256.N/AStull, 1947Based on data from 241. - 375. K.; AC
38.5290.N/AField and Saylor, 1946Based on data from 275. - 353. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
334. - 375.54.790.2912559.9Majer and Svoboda, 1985 

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
328. - 412.324.094181305.612-55.858Scott, Douslin, et al., 1959, 3Coefficents calculated by NIST from author's data.
241. - 375.34.306971439.695-40.702Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
54.4227.MGSears and Hopke, 1948Based on data from 222. - 233. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
13.782244.14N/AScott, Douslin, et al., 1959, 4DH
13.77244.N/ADomalski and Hearing, 1996AC
11.99242.DSCAhmed and Eades, 1972AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
56.45244.14Scott, Douslin, et al., 1959, 4DH

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.

Dreisbach, 1955
Dreisbach, R.R., Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [all data]

Scott, Douslin, et al., 1959
Scott, D.W.; Douslin, D.R.; Messerly, J.F.; Todd, S.S.; Hossenlopp, I.A.; Kincheloe, T.C.; McCullough, J.P., Benzotrifluoride: Chemical Thermodynamic Prop. and Internal Rotation, J. Am. Chem. Soc., 1959, 81, 1015-20. [all data]

McCullough and Waddington, 1957
McCullough, J.P.; Waddington, G., Melting-point purity determinations: limitations as evidenced by calorimetric studies in the melting region, Anal. Chim. Acta, 1957, 17, 80. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav, Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data, Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I . [all data]

Scott, Douslin, et al., 1959, 2
Scott, D.W.; Douslin, D.R.; Messerly, J.F.; Todd, S.S.; Hossenlopp, I.A.; Kincheloe, T.C.; McCullough, J.P., Benzotrifluoride: Chemical thermodynamic properties and internal rotation, J. Am. Chem. Soc., 1959, 81, 1015-10. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Jadot and Fraiha, 1992
Jadot, Roger; Fraiha, Mustapha, Isobaric vapor-liquid equilibrium of (trifluoromethyl)benzene with benzene, toluene, or chlorobenzene, J. Chem. Eng. Data, 1992, 37, 4, 509-511, https://doi.org/10.1021/je00008a031 . [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]

Potter and Saylor, 1951
Potter, John C.; Saylor, John H., The Vapor Pressures and Freezing Points of Some Organic Fluorine Compounds 1,2, J. Am. Chem. Soc., 1951, 73, 1, 90-91, https://doi.org/10.1021/ja01145a032 . [all data]

Dykyj and Vanko, 1970
Dykyj, J.; Vanko, A., Petrochemica, 1970, 10, 1, 3. [all data]

Scott, Douslin, et al., 1959, 3
Scott, D.W.; Douslin, D.R.; Messerly, J.F.; Todd, S.S.; Hossenlopp, I.A.; Kincheloe, T.C.; McCullough, J.P., Benzotrifluoride: Chemical Thermodynamic Properties and Internal Rotation 1, J. Am. Chem. Soc., 1959, 81, 5, 1015-1020, https://doi.org/10.1021/ja01514a001 . [all data]

Mousa, 1985
Mousa, A.H.N., The vapour pressures and saturated volumes of benzotrifluoride in the temperature range 460--530K., Journal of Fluorine Chemistry, 1985, 30, 1, 29-35, https://doi.org/10.1016/S0022-1139(00)80520-5 . [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]

Field and Saylor, 1946
Field, Frank H.; Saylor, John H., The Vapor Pressures of Some Organic Fluorides 1,2, J. Am. Chem. Soc., 1946, 68, 12, 2649-2650, https://doi.org/10.1021/ja01216a068 . [all data]

Sears and Hopke, 1948
Sears, G.W.; Hopke, E.R., The Vapor Pressure of Benzotrifluoride Measured by the Rodebush Manometer, J. Phys. Chem., 1948, 52, 7, 1137-1142, https://doi.org/10.1021/j150463a004 . [all data]

Scott, Douslin, et al., 1959, 4
Scott, D.W.; Douslin, D.R.; Messerly, J.F.; Todd, S.S.; Hossenlopp, I.A.; Kincheloe, T.C.; McCullough, J.P., Benzotrifluoride: chemical thermodynamic properties and internal rotation, J. Am. Chem. Soc., 1959, 81, 1015-1017. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Ahmed and Eades, 1972
Ahmed, A.M.I.; Eades, R.G., Proton magnetic relaxation in toluene and some derivatives, J. Chem. Soc., Faraday Trans. 2, 1972, 68, 1623, https://doi.org/10.1039/f29726801623 . [all data]


Notes

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