Propyl trifluoroacetate
- Formula: C5H7F3O2
- Molecular weight: 156.1031
- IUPAC Standard InChI: InChI=1S/C5H7F3O2/c1-2-3-10-4(9)5(6,7)8/h2-3H2,1H3
- IUPAC Standard InChIKey: CDXJNCAVPFGVNL-UHFFFAOYSA-N
- CAS Registry Number: 383-66-4
- 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: CF3C(O)O(CH2)2CH3; Acetic acid, trifluoro-, propyl ester; Trifluoroacetic acid, propyl ester; CF3CO2(n-C3H7)
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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 evaluated by: Edward P. Hunter and Sharon G. Lias
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 763.9 | kJ/mol | N/A | Hunter and Lias, 1998 | |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 732.9 | kJ/mol | N/A | Hunter and Lias, 1998 |
Gas Chromatography
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 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. | 559. | Promyshlennikova, Kirichenko, et al., 1992 | |
| Capillary | OV-101 | 100. | 558.6 | Promyshlennikova, Kirichenko, et al., 1991 | He; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 80. | 569.6 | Komárek, Hornová, et al., 1982 | N2; Column length: 15. m; Column diameter: 0.22 mm |
References
Go To: Top, 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.
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]
Komárek, Hornová, et al., 1982
Komárek, K.; Hornová, L.; Churácek, J.,
Glass capillary gas chromatography of homologous series of esters. Separation of homologous series of esters of halogenated carboxylic acids on a glass capillary column with the non-polar stationary silicone phase OV-101,
J. Chromatogr., 1982, 244, 1, 142-147, https://doi.org/10.1016/S0021-9673(00)80131-4
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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