Benzene, 1,3,5-trichloro-2,4,6-trifluoro-
- Formula: C6Cl3F3
- Molecular weight: 235.418
- IUPAC Standard InChI: InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11
- IUPAC Standard InChIKey: QPXZZPSKCVNHFW-UHFFFAOYSA-N
- CAS Registry Number: 319-88-0
- 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: 1,3,5-Trichloro-2,4,6-trifluorobenzene; 1,3,5-Trichlorotrifluorobenzene
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Condensed phase thermochemistry data
Go To: Top, Gas phase ion energetics 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: Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°solid,1 bar | 243.3 | J/mol*K | N/A | Andon and Martin, 1973 | |
| S°solid,1 bar | 245.35 | J/mol*K | N/A | Paukov and Glukhikh, 1969 |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 197.0 | 298.15 | Andon and Martin, 1973 | T = 14 to 347 K. |
| 197.95 | 298.15 | Paukov and Glukhikh, 1969 | T = 13 to 355 K. |
Gas phase ion energetics data
Go To: Top, 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.3 | PE | Maier and Thommen, 1982 | LBLHLM |
| 9.48 ± 0.02 | PE | Mohraz, Maier, et al., 1980 | LLK |
References
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andon and Martin, 1973
Andon, R.J.L.; Martin, J.F.,
Thermodynamic properties of fluorine compounds. Part 12. Low-temperature heat capacity and entropy of 1,3,5-trichloro-2,4,6-trifluorobenzene,
J. Chem. Soc. Faraday Trans., 1973, I 69, 871-875. [all data]
Paukov and Glukhikh, 1969
Paukov, I.E.; Glukhikh, L.K.,
The true heat capacity in the range 13-350°K and the absolute entropy and enthalpy of 1,3,5-trichloro-2,4,6-trifluorobenzene,
Zhur. Fiz. Khim., 1969, 43, 226-228. [all data]
Maier and Thommen, 1982
Maier, J.P.; Thommen, F.,
Photoelectron-photoion coincidence studies of halobenzene cations in their excited electronic states,
J. Chem. Phys., 1982, 77, 4427. [all data]
Mohraz, Maier, et al., 1980
Mohraz, M.; Maier, J.P.; Heilbronner, E.,
He(I α) and He(Iα) photoelectron spectra of fluorinated chloro- and bromobenzenes,
J. Electron Spectrosc. Relat. Phenom., 1980, 19, 429. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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