- Formula: CF3I
- Molecular weight: 195.9104
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: VPAYJEUHKVESSD-UHFFFAOYSA-N
- CAS Registry Number: 2314-97-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Iodotrifluoromethane; Perfluoromethyl iodide; Trifluoroiodomethane; Trifluoromethyl iodide; CF3I; Trifluoriodomethane; CIF3
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Reaction thermochemistry data
Go To: Top, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess
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+ = ( )
By formula: CH3+ + CF3I = (CH3+ CF3I)
|rH°||251.||kJ/mol||PHPMS||McMahon, Heinis, et al., 1988||gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M|
+ = +
By formula: I2 + CClF3 = CF3I + ClI
|rH°||72.3 ± 1.1||kJ/mol||Eqk||Lord, Goy, et al., 1967||gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 71.55 ± 0.71 kJ/mol; ALS|
+ = +
By formula: I2 + CBrF3 = CF3I + BrI
|rH°||40.0 ± 0.1||kJ/mol||Eqk||Lord, Goy, et al., 1967||gas phase; ALS|
+ = CClF3I-
By formula: Cl- + CF3I = CClF3I-
|rH°||98.74 ± 0.84||kJ/mol||TDAs||Bogdanov and McMahon, 2006||gas phase; B|
Go To: Top, Reaction thermochemistry data, Notes
McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]
Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]
Lord, Goy, et al., 1967
Lord, A.; Goy, C.A.; Pritchard, H.O., The heats of formation of trifluoromethyl chloride and bromide, J. Phys. Chem., 1967, 71, 2705-2707. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Bogdanov and McMahon, 2006
Bogdanov, B.; McMahon, T.B., Gas phase S(N)2 reactions of halide ions with trifluoromethyl halides: Front- and back-side attack vs. complex formation, J. Phys. Chem. A, 2006, 110, 4, 1350-1363, https://doi.org/10.1021/jp0541011 . [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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