- Formula: C2F3N
- Molecular weight: 95.0233
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: SFFUEHODRAXXIA-UHFFFAOYSA-N
- CAS Registry Number: 353-85-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Cyanotrifluoromethane; Trifluoroacetonitrile; CF3CN
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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+ = ( )
By formula: F- + C2F3N = (F- C2F3N)
|rH°||29.2 ± 2.0||kcal/mol||IMRE||Larson and McMahon, 1985||gas phase; B,M|
|rS°||24.||cal/mol*K||N/A||Larson and McMahon, 1985||gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M|
|rG°||21.9 ± 2.0||kcal/mol||IMRE||Larson and McMahon, 1985||gas phase; B,M|
3 + 5 = 6 + 4
By formula: 3C2F3N + 5F3N = 6CF4 + 4N2
|rH°||-824.40 ± 0.22||kcal/mol||Eqk||Walker, Sinke, et al., 1970||gas phase; ALS|
+ = 2
By formula: C2N2 + C2F6 = 2C2F3N
|rH°||10.54 ± 0.14||kcal/mol||Eqk||Walker, Sinke, et al., 1970||gas phase; ALS|
Go To: Top, Reaction thermochemistry data, Notes
Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]
Walker, Sinke, et al., 1970
Walker, L.C.; Sinke, G.C.; Perettie, D.J.; Janz, G.J., Enthalpy of formation of trifluoroacetonitrile, J. Am. Chem. Soc., 1970, 92, 4525-4526. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions rS° Entropy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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