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Benzene, pentafluoromethyl-

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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
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
Tboil390.KN/APCR Inc., 1990BS
Tboil390.2KN/AWeast and Grasselli, 1989BS
Tboil390.6KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Ttriple243.7KN/APaukov, 1971Uncertainty assigned by TRC = 0.2 K; TRC
Ttriple243.35KN/ACounsell, Hales, et al., 1968Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc548.6KN/AMajer and Svoboda, 1985 
Tc566.52KN/AHales and Townsend, 1974Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
rhoc2.600mol/lN/AHales and Townsend, 1974Uncertainty assigned by TRC = 0.0026 mol/l; Liquid density determined by magnetically balanced float up to 490 K, see J.L.Hales, 1970-128. Critical D by equation due to Riedel.; TRC
Quantity Value Units Method Reference Comment
Deltavap41.13kJ/molN/AMajer and Svoboda, 1985 
Deltavap41.2kJ/molN/ABoublik, Fried, et al., 1984Based on data from 310. - 410. K. See also Basarová and Svoboda, 1991.; AC
Deltavap40.9 ± 0.4kJ/molVCox, Gundry, et al., 1969ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
34.75390.6N/AMajer and Svoboda, 1985 
36.1418.N/ADykyj, Svoboda, et al., 1999Based on data from 403. - 523. K.; AC
34.9508.N/ADykyj, Svoboda, et al., 1999Based on data from 493. - 564. K.; AC
39.9327.AStephenson and Malanowski, 1987Based on data from 312. - 416. K. See also Ambrose, 1968, Kkykj and Repas, 1973, and Dykyj, Svoboda, et al., 1999.; 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
349. - 391.58.640.2674548.6Majer 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
312.31 - 411.374.21701396.766-58.974Ambrose, 1968, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
13.280243.7Paukov, 1971, 2Transition 0.3 K below mp, H is sum of transition and fusion.; DH
13.28243.7Domalski and Hearing, 1996See also Counsell, Hales, et al., 1968.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
54.49243.7Paukov, 1971, 2Transition; DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.210370.3crystaline, IIcrystaline, ICounsell, Hales, et al., 1968, 2DH
12.990243.35crystaline, IIcrystaline, ICounsell, Hales, et al., 1968, 2DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.9470.3crystaline, IIcrystaline, ICounsell, Hales, et al., 1968, 2DH
53.38243.35crystaline, IIcrystaline, ICounsell, Hales, et al., 1968, 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.

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

Paukov, 1971
Paukov, I.E., Low-temperature heat capacity, phase transition, absolute entropy, and ethalpy of pentafluorotoluene, Zh, Fiz. Khim., 1971, 45, 1297-8. [all data]

Counsell, Hales, et al., 1968
Counsell, J.F.; Hales, J.L.; Lees, E.B.; Martin, J.F., Thermodynamic properties of fluorine compounds. Part VIII. The heat capacity and entropy of 2,3,4,5,6-pentafluorotoluene, J. Chem. Soc., A, 1968, 2994, https://doi.org/10.1039/j19680002994 . [all data]

Hales and Townsend, 1974
Hales, J.L.; Townsend, R., Liquid Densities from 293 to 490 K of Eight Fluorinated Aromatic Comp., J. Chem. Thermodyn., 1974, 6, 111-6. [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]

Cox, Gundry, et al., 1969
Cox, J.D.; Gundry, H.A.; Harrop, D.; Head, A.J., Thermodynamic properties of fluorine compounds. 9. Enthalpies of formation of some compounds containing the pentafluorophenyl group, J. Chem. Thermodyn., 1969, 1, 77-87. [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]

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]

Ambrose, 1968
Ambrose, D., Thermodynamic properties of fluorine compounds. Part V. Vapour pressures of pentafluorobenzene, chloropentafluorobenzene, 2,3,4,5,6-pentafluorotoluene, and pentafluorophenol, J. Chem. Soc., A, 1968, 1381, https://doi.org/10.1039/j19680001381 . [all data]

Kkykj and Repas, 1973
Kkykj, J.; Repas, M., Petrochemia, 1973, 13, 179. [all data]

Ambrose, 1968, 2
Ambrose, D., Thermodynamic Properties of Fluorine Compounds. Part V. Vapour Pressures of Pentafluorobenzene, Chloropentafluorobenzene, 2,3,4,5,6-Pentafluorotoluene, and Pentafluorophenol, J. Chem. Soc. A:, 1968, 1381-1383, https://doi.org/10.1039/j19680001381 . [all data]

Paukov, 1971, 2
Paukov, I.E., Low-temperature heat capacity, phase transition, absolute entropy, and enthalpy of pentafluorotoluene, Zhur. Fiz. Khim., 1971, 45, 1297-1298. [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]

Counsell, Hales, et al., 1968, 2
Counsell, J.F.; Hales, J.L.; Lees, E.B.; Martin, J.F., Thermodynamic properties of fluorine compounds. Part VIII. The heat capacity and entropy of 2,3,4,5,6-pentafluorotoluene, J. Chem. Soc. A, 1968, 2994-2996. [all data]


Notes

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