- Formula: C7F8
- Molecular weight: 236.0621
- IUPAC Standard InChI:
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- 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
- Other names: Toluene, octafluoro-; (Trifluoromethyl)pentafluorobenzene; Octafluorotoluene; Perfluorotoluene; Pentafluoro(trifluoro-methyl)benzene
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Gas 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
|fH°gas||-303.4 ± 1.9||kcal/mol||Ccb||Krech, Price, et al., 1973||Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -303.2 ± 1.8 kcal/mol; ALS|
Go To: Top, Gas phase thermochemistry data, Notes
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]
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]
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
fH°gas Enthalpy of formation of gas at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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