(CF3)3CO anion
- Formula: C4F9O-
- Molecular weight: 235.0284
- CAS Registry Number: 59229-53-7
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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Individual Reactions
By formula: C4F9O- + H+ = C4HF9O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1387. ± 9.2 | kJ/mol | G+TS | Taft, Koppel, et al., 1990 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1356. ± 8.4 | kJ/mol | IMRE | Taft, Koppel, et al., 1990 | gas phase; B |
ΔrG° | 1352. ± 21. | kJ/mol | IMRB | Koppel, Pikver, et al., 1981 | gas phase; B |
ΔrG° | 1345. ± 21. | kJ/mol | IMRB | Clair and McMahon, 1980 | gas phase; B |
By formula: C4F9O- + HF = (C4F9O- • HF)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71. | kJ/mol | ICR | Larson and McMahon, 1983 | gas phase; M |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Electron affinity of neutral species
EAneutral (eV) | Method | Reference | Comment |
---|---|---|---|
4.03 ± 0.24 | D-EA | Taft, Koppel, et al., 1990 |
Protonation reactions
By formula: C4F9O- + H+ = C4HF9O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1387. ± 9.2 | kJ/mol | G+TS | Taft, Koppel, et al., 1990 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1356. ± 8.4 | kJ/mol | IMRE | Taft, Koppel, et al., 1990 | gas phase |
ΔrG° | 1352. ± 21. | kJ/mol | IMRB | Koppel, Pikver, et al., 1981 | gas phase |
ΔrG° | 1345. ± 21. | kJ/mol | IMRB | Clair and McMahon, 1980 | gas phase |
References
Go To: Top, Reaction thermochemistry data, 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.
Taft, Koppel, et al., 1990
Taft, R.W.; Koppel, I.J.; Topsom, R.D.; Anvia, F.,
Acidities of OH Compounds, including Alcohols, Phenols, Carboxylic Acids, and Mineral Acids,
J. Am. Chem. Soc., 1990, 112, 6, 2047, https://doi.org/10.1021/ja00162a001
. [all data]
Koppel, Pikver, et al., 1981
Koppel, I.; Pikver, R.; Sugis, A.; Suurmaa, E.; Lippmaa, E.,
FTICR Study of Structure and Solvent Effects on Basicity of Some Anions in the Gas Phase,
Org. Reac., 1981, 18, 3. [all data]
Clair and McMahon, 1980
Clair, R.L.; McMahon, T.B.,
An ion cyclotron resonance study of base-induced elimination reactions of fluorinated alcohols and unimolecular loss of HF from chemically activated fluoroalkoxide ions,
Int. J. Mass Spectrom. Ion Phys., 1980, 33, 21. [all data]
Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B.,
Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements,
J. Am. Chem. Soc., 1983, 105, 2944. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species 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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