acetyl fluoride
- Formula: C2H3FO
- Molecular weight: 62.0430
- IUPAC Standard InChI: InChI=1S/C2H3FO/c1-2(3)4/h1H3
- IUPAC Standard InChIKey: JUCMRTZQCZRJDC-UHFFFAOYSA-N
- CAS Registry Number: 557-99-3
- Chemical structure:
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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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.51 ± 0.02 | PE | Chadwick and Katrib, 1974 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H3O+ | 12.3 | F | EI | Majer, Patrick, et al., 1961 | RDSH |
De-protonation reactions
C2H2FO- + =
By formula: C2H2FO- + H+ = C2H3FO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1489. ± 16. | kJ/mol | G+TS | Farid and McMahon, 1980 | gas phase; Between MeCOCH2F, cyclopentadiene; value altered from reference due to change in acidity scale; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1460. ± 15. | kJ/mol | IMRB | Farid and McMahon, 1980 | gas phase; Between MeCOCH2F, cyclopentadiene; value altered from reference due to change in acidity scale; 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.
Chadwick and Katrib, 1974
Chadwick, D.; Katrib, A.,
Photoelectron spectra of acetaldehyde and acetyl halides,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 39. [all data]
Majer, Patrick, et al., 1961
Majer, J.R.; Patrick, C.R.; Robb, J.C.,
Appearance potentials of the acetyl radical-ion,
J. Chem. Soc. Faraday Trans., 1961, 57, 14. [all data]
Farid and McMahon, 1980
Farid, R.; McMahon, T.B.,
The gas phase acidities of fluorinated acetones. An ICR investigation of the role of fluorine substituents in the stabilization of planar carbanions,
Can. J. Chem., 1980, 58, 2307. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy 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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