Benzene, pentafluoro-
- Formula: C6HF5
- Molecular weight: 168.0642
- IUPAC Standard InChIKey: WACNXHCZHTVBJM-UHFFFAOYSA-N
- CAS Registry Number: 363-72-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Pentafluorobenzene; 1,2,3,4,5-Pentafluorobenzene
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Phase change data
Go To: Top, Gas Chromatography, 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 |
---|---|---|---|---|---|
Tboil | 358. ± 1. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 225.67 | K | N/A | Paukov and Lavrent'eva, 1969 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 225.83 | K | N/A | Counsell, Hales, et al., 1968 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 532. | K | N/A | Majer and Svoboda, 1985 | |
Tc | 530.8 | K | N/A | Skripov and Muratov, 1977 | TRC |
Tc | 530.96 | K | N/A | Hales and Townsend, 1974 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tc | 530.97 | K | N/A | Ambrose and Sprake, 1971 | Uncertainty assigned by TRC = 0.03 K; TRC |
Tc | 531.95 | K | N/A | Evans and Tiley, 1966 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 34.25 | atm | N/A | Skripov and Muratov, 1977 | Vis, pc by extrapolation of VP; TRC |
Pc | 34.85 | atm | N/A | Ambrose and Sprake, 1971 | Uncertainty assigned by TRC = 0.05 atm; TRC |
Pc | 34.70 | atm | N/A | Evans and Tiley, 1966 | Uncertainty assigned by TRC = 0.099 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.080 | mol/l | N/A | Hales and Townsend, 1974 | Uncertainty 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 |
ΔvapH° | 8.690 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 8.65 | kcal/mol | N/A | Invernizzi, 1982 | Based on data from 290. to 510. K. See also Basarová and Svoboda, 1991.; AC |
ΔvapH° | 8.65 ± 0.05 | kcal/mol | V | Cox, Gundry, et al., 1969 | ALS |
ΔvapH° | 8.697 | kcal/mol | V | Findlay, 1969 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.684 | 358.9 | N/A | Majer and Svoboda, 1985 | |
8.01 | 373. | A | Stephenson and Malanowski, 1987 | Based on data from 358. to 397. K.; AC |
7.79 | 408. | A | Stephenson and Malanowski, 1987 | Based on data from 393. to 479. K.; AC |
7.70 | 488. | A | Stephenson and Malanowski, 1987 | Based on data from 473. to 531. K.; AC |
8.32 | 337. | A | Stephenson and Malanowski, 1987 | Based on data from 322. to 368. K. See also Ambrose, 1968.; AC |
8.312 ± 0.001 | 190. | C | Counsell, Hales, et al., 1968 | ALS |
7.65 | 388. | EB | Evans and Tiley, 1966, 2 | Based on data from 373. to 530. K.; AC |
8.53 | 313. | N/A | Patrick and Prosser, 1964 | Based 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)
(kcal/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
321. to 359. | 12.96 | 0.2911 | 532. | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
321.88 to 367.5 | 4.15515 | 1253.674 | -57.179 | Ambrose, 1968, 2 | Coefficents calculated by NIST from author's data. |
373.36 to 529.53 | 4.6306 | 1635.174 | -3.684 | Evans and Tiley, 1966, 3 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.6011 | 225.67 | Paukov and Lavrent'eva, 1969, 2 | DH |
2.5939 | 225.83 | Counsell, Hales, et al., 1968, 2 | DH |
2.600 | 225.7 | Acree, 1991 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.52 | 225.67 | Paukov and Lavrent'eva, 1969, 2 | DH |
11.49 | 225.83 | Counsell, Hales, et al., 1968, 2 | DH |
Gas Chromatography
Go To: Top, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Squalane | 100. | 589. | Vernon and Edwards, 1975 | N2, DCMS-treated Celite; Column length: 1. m |
Packed | Apiezon L | 100. | 594. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Paukov and Lavrent'eva, 1969
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
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]
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]
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]
Paukov and Lavrent'eva, 1969, 2
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, 2
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]
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]
Vernon and Edwards, 1975
Vernon, F.; Edwards, G.T.,
Gas-liquid chromatography on fluorinated stationary phases. I. Hydrocarbons and fluorocarbons,
J. Chromatogr., 1975, 110, 1, 73-80, https://doi.org/10.1016/S0021-9673(00)91212-3
. [all data]
Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J.,
Gas chromatography of polar solutes in electron acceptor stationary phases,
Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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