Benzene, bromopentafluoro-
- Formula: C6BrF5
- Molecular weight: 246.960
- IUPAC Standard InChI: InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
- IUPAC Standard InChIKey: XEKTVXADUPBFOA-UHFFFAOYSA-N
- CAS Registry Number: 344-04-7
- 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: Bromopentafluorobenzene; Bromoperfluorobenzene; Pentafluorobromobenzene; Pentafluorophenyl bromide; 1-Bromo-2,3,4,5,6-pentafluorobenzene
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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 410. | K | N/A | Farchan Laboratories, 1990 | BS |
| Tboil | 410. | K | N/A | PCR Inc., 1990 | BS |
| Tboil | 410.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 410. | K | N/A | American Tokyo Kasei, 1988 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 10.29 ± 0.050 | kcal/mol | V | Krech, Price, et al., 1977 | Uc=-2137.78 kJ/mol; ALS |
| ΔvapH° | 10.3 ± 0.05 | kcal/mol | N/A | Krech, Price, et al., 1977 | Based on data from 283. to 348. K.; AC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 9.13 | 415. | A | Stephenson and Malanowski, 1987 | Based on data from 400. to 522. K. See also Dykyj, 1972.; AC |
| 9.08 | 429. | EB | Woodman and Adicoff, 1969 | Based on data from 414. to 522. K.; 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 |
|---|---|---|---|---|---|
| 414.76 to 521.34 | 4.16834 | 1447.605 | -62.609 | Evans and Tiley, 1966 | Coefficents calculated by NIST from author's data. |
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.
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]
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]
American Tokyo Kasei, 1988
American Tokyo Kasei,
TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]
Krech, Price, et al., 1977
Krech, M.J.; Price, S.J.W.; Sapiano, H.J.,
Determination of ΔH12980(C6F5Br,g)from studies of the combustion of bromopentafluorobenzene in oxygen and calculation of D[C6F5-Br],
Can. J. Chem., 1977, 55, 4222-4226. [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]
Dykyj, 1972
Dykyj, J.,
Petrochemia, 1972, 12, 1, 13. [all data]
Woodman and Adicoff, 1969
Woodman, Alan L.; Adicoff, Arnold,
Vapor pressure of methyl 2-cyanoacrylate,
J. Chem. Eng. Data, 1969, 14, 4, 479-480, https://doi.org/10.1021/je60043a019
. [all data]
Evans and Tiley, 1966
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]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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