Benzene, pentafluoro(trifluoromethyl)-
- Formula: C7F8
- Molecular weight: 236.0621
- IUPAC Standard InChI: InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
- IUPAC Standard InChIKey: USPWUOFNOTUBAD-UHFFFAOYSA-N
- CAS Registry Number: 434-64-0
- 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: Toluene, octafluoro-; (Trifluoromethyl)pentafluorobenzene; Octafluorotoluene; Perfluorotoluene; Pentafluoro(trifluoro-methyl)benzene
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Condensed phase thermochemistry 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:
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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -313.4 ± 1.9 | kcal/mol | Ccb | Krech, Price, et al., 1973 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -313.2 ± 1.8 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 86.07 | cal/mol*K | N/A | Paukov, 1975 | DH |
| S°liquid | 84.97 | cal/mol*K | N/A | Andon and Martin, 1974 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 63.67 | 298.15 | Paukov, 1975 | T = 13 to 300 K.; DH |
| 62.69 | 298.15 | Andon and Martin, 1974 | T = 10 to 315 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Krech, Price, et al., 1973
Krech, M.J.; Price, S.J.W.; Yared, W.F.,
Determination of the heat of formation of octafluorotoluene and calculation of D[C6F5-F] - D[C6F5-CF3],
Can. J. Chem., 1973, 51, 3662-3664. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Paukov, 1975
Paukov, I.E.,
Thermodynamic properties of octafluorotoluene in the temperature range 13 to 300 K,
Zhur. Fiz. Khim., 1975, 49, 265. [all data]
Andon and Martin, 1974
Andon, R.J.L.; Martin, J.F.,
Thermodynamic properties of fluorine compounds. Part 14. Low-temperature heat capacity and entropy of octafluorotoluene,
J. Chem. Soc. Faraday Trans., 1974, I 70, 605-608. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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