Acetamide, 2,2,2-trifluoro-N-phenyl-
- Formula: C8H6F3NO
- Molecular weight: 189.1345
- IUPAC Standard InChI: InChI=1S/C8H6F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13)
- IUPAC Standard InChIKey: SAPQIENQEZURNZ-UHFFFAOYSA-N
- CAS Registry Number: 404-24-0
- 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: Acetanilide, 2,2,2-trifluoro-; α,α,α-Trifluoroacetanilide; 2,2,2-Trifluoroacetanilide; Alpha,alpha,alpha-trifluoroacetanilide; Trifluoroacetamide, N-phenyl; 2,2,2-trifluoro-N-phenylacetamide
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Gas phase ion energetics 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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.93 ± 0.05 | PE | Szepes, Distefano, et al., 1974 | Vertical value; LLK |
De-protonation reactions
C8H5F3NO- + =
By formula: C8H5F3NO- + H+ = C8H6F3NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1395. ± 8.8 | kJ/mol | G+TS | Taft and Bordwell, 1988 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1366. ± 8.4 | kJ/mol | IMRE | Taft and Bordwell, 1988 | gas phase; B |
References
Go To: Top, 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.
Szepes, Distefano, et al., 1974
Szepes, L.; Distefano, G.; Pignataro, S.,
Steric inhibition of resonance in acetanilides by UV photoelectron spectroscopy,
Ann. Chim., 1974, 64, 159. [all data]
Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G.,
Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase,
Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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