Benzene, pentafluoro-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-806.0 ± 1.4kJ/molCcrCox, Gundry, et al., 1969 

Condensed phase thermochemistry data

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

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
Δfliquid-842.2 ± 1.4kJ/molCcrCox, Gundry, et al., 1969ALS
Quantity Value Units Method Reference Comment
Δcliquid-2557.0 ± 1.4kJ/molCcrCox, Gundry, et al., 1969ALS
Quantity Value Units Method Reference Comment
liquid279.49J/mol*KN/APaukov and Lavrent'eva, 1969DH
liquid275.9J/mol*KN/ACounsell, Hales, et al., 1968DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
210.79298.15Paukov and Lavrent'eva, 1969T = 12 to 300 K.; DH
204.7298.15Counsell, Hales, et al., 1968T = 12 to 324 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil358. ± 1.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple225.67KN/APaukov and Lavrent'eva, 1969, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple225.83KN/ACounsell, Hales, et al., 1968, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc532.KN/AMajer and Svoboda, 1985 
Tc530.8KN/ASkripov and Muratov, 1977TRC
Tc530.96KN/AHales and Townsend, 1974Uncertainty assigned by TRC = 0.05 K; TRC
Tc530.97KN/AAmbrose and Sprake, 1971Uncertainty assigned by TRC = 0.03 K; TRC
Tc531.95KN/AEvans and Tiley, 1966Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Pc34.70barN/ASkripov and Muratov, 1977Vis, pc by extrapolation of VP; TRC
Pc35.31barN/AAmbrose and Sprake, 1971Uncertainty assigned by TRC = 0.05 bar; TRC
Pc35.16barN/AEvans and Tiley, 1966Uncertainty assigned by TRC = 0.10 bar; TRC
Quantity Value Units Method Reference Comment
ρc3.080mol/lN/AHales and Townsend, 1974Uncertainty assigned by TRC = 0.0030 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
Δvap36.36kJ/molN/AMajer and Svoboda, 1985 
Δvap36.2kJ/molN/AInvernizzi, 1982Based on data from 290. to 510. K. See also Basarová and Svoboda, 1991.; AC
Δvap36.2 ± 0.2kJ/molVCox, Gundry, et al., 1969ALS
Δvap36.39kJ/molVFindlay, 1969ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
32.15358.9N/AMajer and Svoboda, 1985 
33.5373.AStephenson and Malanowski, 1987Based on data from 358. to 397. K.; AC
32.6408.AStephenson and Malanowski, 1987Based on data from 393. to 479. K.; AC
32.2488.AStephenson and Malanowski, 1987Based on data from 473. to 531. K.; AC
34.8337.AStephenson and Malanowski, 1987Based on data from 322. to 368. K. See also Ambrose, 1968.; AC
34.776 ± 0.006190.CCounsell, Hales, et al., 1968, 2ALS
32.0388.EBEvans and Tiley, 1966, 2Based on data from 373. to 530. K.; AC
35.7313.N/APatrick and Prosser, 1964Based on data from 298. to 358. K. See also Boublik, Fried, et al., 1984.; 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)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A (kJ/mol) β Tc (K) Reference Comment
321. to 359.54.240.2911532.Majer and Svoboda, 1985 

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
321.88 to 367.54.160861253.674-57.179Ambrose, 1968, 2Coefficents calculated by NIST from author's data.
373.36 to 529.534.63631635.174-3.684Evans and Tiley, 1966, 3Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
10.883225.67Paukov and Lavrent'eva, 1969DH
10.853225.83Counsell, Hales, et al., 1968DH
10.88225.7Acree, 1991AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
48.22225.67Paukov and Lavrent'eva, 1969DH
48.06225.83Counsell, Hales, et al., 1968DH

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.

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]

Paukov and Lavrent'eva, 1969
Paukov, I.E.; Lavrent'eva, M.N., Thermodynamic properties of pentafluorobenzene over the range 12-300K, Zhur. Fiz. Khim., 1969, 43, 2938-2941. [all data]

Counsell, Hales, et al., 1968
Counsell, J.F.; Hales, J.L.; Martin, J.F., Thermodynamic properties of fluorine compounds. Part VI. The heat capacity and entropy of pentafluorobenzene, J. Chem. Soc. A, 1968, 2042-2044. [all data]

Paukov and Lavrent'eva, 1969, 2
Paukov, I.E.; Lavrent'eva, M.N., Thermodynamic properties of pentafluorobenzene over the range 12-300 K, Zh. Fiz. Khim., 1969, 43, 2938. [all data]

Counsell, Hales, et al., 1968, 2
Counsell, J.F.; Hales, J.L.; Martin, J.F., Thermodynamic properties of flourine compounds. Part VI. The heat capacity and entropy of pentafluorobenzene, J. Chem. Soc. A, 1968, 2042. [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]

Skripov and Muratov, 1977
Skripov, V.P.; Muratov, G.N., The surface tensions of liquids and their interpretation by the method of thermodynamic similarity., Russ. J. Phys. Chem. (Engl. Transl.), 1977, 51, 806-8. [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]

Ambrose and Sprake, 1971
Ambrose, D.; Sprake, C.H.S., Thermodynamic properties of fluorine compounds: x critical properties and vapour pressures of pentafluorobenzene, chloropentafluorobenzene, 2,3,4,5,6 -pentafluorotoluene, and pentafluorophenol, J. Chem. Soc. A, 1971, 1971, 1263. [all data]

Evans and Tiley, 1966
Evans, F.D.; Tiley, P.F., Vapour Pressures and Critical Constants of Hexafluoro, Pentafluoro-, Chloropentafrluoro-, and Bromopentafluoro-benzene, J. Chem. Soc. B, 1966, 1966, 134-6. [all data]

Invernizzi, 1982
Invernizzi, C., Termotecnica, 1982, 4, 78. [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]

Findlay, 1969
Findlay, T.J.V., Vapor pressures of fluorobenzenes from 5° to 50°C, J. Chem. Eng. Data, 1969, 14, 229. [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]

Evans and Tiley, 1966, 2
Evans, F.D.; Tiley, P.F., Vapour pressures and critical constants of hexafluoro-, pentafluoro-, chloropentafluoro-, and bromopentafluoro-benzene, J. Chem. Soc., B:, 1966, 134, https://doi.org/10.1039/j29660000134 . [all data]

Patrick and Prosser, 1964
Patrick, C.R.; Prosser, G.S., Vapour pressures and related properties of hexafluorobenzene and of pentafluorobenzene, Trans. Faraday Soc., 1964, 60, 700, https://doi.org/10.1039/tf9646000700 . [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]

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]

Evans and Tiley, 1966, 3
Evans, F.D.; Tiley, Vapour Pressures and Critical Constants of Hexafluoro-, Pentafluoro-, Chloropentafluoro-, and Bromopentafluoro-benzene, J. Chem. Soc. B:, 1966, 134-136, https://doi.org/10.1039/j29660000134 . [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]


Notes

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