Methyl trifluoroacetate
- Formula: C3H3F3O2
- Molecular weight: 128.0499
- IUPAC Standard InChI: InChI=1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3
- IUPAC Standard InChIKey: VMVNZNXAVJHNDJ-UHFFFAOYSA-N
- CAS Registry Number: 431-47-0
- 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: Trifluoroacetic acid methyl ester; Acetic acid, trifluoro-, methyl ester; CF3C(O)OCH3
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -992.9 ± 5.4 | kJ/mol | Eqk | Guthrie, 1976 |
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 evaluated by: Edward P. Hunter and Sharon G. Lias
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 740.5 | kJ/mol | N/A | Hunter and Lias, 1998 | |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 709.6 | kJ/mol | N/A | Hunter and Lias, 1998 |
Gas Chromatography
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 100. | 400. | Promyshlennikova, Kirichenko, et al., 1992 | |
| Capillary | OV-101 | 100. | 400.4 | Promyshlennikova, Kirichenko, et al., 1991 | He; Column length: 50. m; Column diameter: 0.25 mm |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Guthrie, 1976
Guthrie, J.P.,
Thermodynamics of ester and orthoester formation from trifluoroacetic acid,
Can. J. Chem., 1976, 54, 202-209. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Promyshlennikova, Kirichenko, et al., 1992
Promyshlennikova, E.P.; Kirichenko, V.E.; Pashkevich, K.I.; Grigor'eva, D.N.; Golovnya, R.V.,
Influence of the stationary phase nature on the retention of polyfluorinated carboxylic acid esters,
Zh. Anal. Khim., 1992, 47, 1070-1075. [all data]
Promyshlennikova, Kirichenko, et al., 1991
Promyshlennikova, E.P.; Kirichenko, V.E.; Pashkevich, K.I.; Grigor'eva, D.N.; Golovnya, R.V.,
Capillary chromatography of polyfluorinated carboxylic esters,
Izv. Akad. Nauk SSSR Ser. Khim., 1991, 8, 1541-1545. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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