Acetamide, 2,2,2-trifluoro-
- Formula: C2H2F3NO
- Molecular weight: 113.0386
- IUPAC Standard InChI: InChI=1S/C2H2F3NO/c3-2(4,5)1(6)7/h(H2,6,7)
- IUPAC Standard InChIKey: NRKYWOKHZRQRJR-UHFFFAOYSA-N
- CAS Registry Number: 354-38-1
- 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: Trifluoroacetamide; CF3CONH2; 2,2,2-Trifluoroacetamide; Acetamide, trifluoro
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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 |
|---|---|---|---|
| 10.8 | PE | Asbrink, Svensson, et al., 1981 | LLK |
| 11.3 | PE | Asbrink, Svensson, et al., 1981 | Vertical value; LLK |
De-protonation reactions
C2HF3NO- + =
By formula: C2HF3NO- + H+ = C2H2F3NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 343.7 ± 2.1 | kcal/mol | G+TS | Taft and Bordwell, 1988 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 336.7 ± 2.0 | kcal/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.
Asbrink, Svensson, et al., 1981
Asbrink, L.; Svensson, A.; Von Niessen, W.; Bieri, G.,
30.4 nm He(II) photoelectron spectra of organic molecules,
J. Electron Spectrosc. Relat. Phenom., 1981, 24, 293. [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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