Pentafluoropropanoic acid methyl ester
- Formula: C4H3F5O2
- Molecular weight: 178.0574
- IUPAC Standard InChIKey: JMKJCPUVEMZGEC-UHFFFAOYSA-N
- CAS Registry Number: 378-75-6
- 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: Methyl pentafluoropropionate; Methyl pentafluoropropanoate; Propanoic acid, pentafluoro-, methyl ester; Propionic acid, pentafluoro-, methyl ester; Methylester kyseliny pentafluorpropionove; Pentafluoropropionic acid methyl ester; Perfluoropropionic acid, methyl ester; 2,2,3,3,3-Pentafluoro-propionic acid methyl ester
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -341.37 ± 0.66 | kcal/mol | Ccr | Slavutskaya, Kolesov, et al., 1974 | Reanalyzed by Kolesov and Kozina, 1986, Original value = -337.54 kcal/mol |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 332. to 333. | K | N/A | PCR Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.3 | kcal/mol | E | Slavutskaya, Kolesov, et al., 1974 | ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
334.2 | 0.972 | Aldrich Chemical Company Inc., 1990 | BS |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
NIST MS number | 343681 |
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. | 437. | Promyshlennikova, Kirichenko, et al., 1992 | |
Capillary | OV-101 | 100. | 437.2 | Promyshlennikova, Kirichenko, et al., 1991 | He; Column length: 50. m; Column diameter: 0.25 mm |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Slavutskaya, Kolesov, et al., 1974
Slavutskaya, G.M.; Kolesov, V.P.; Borisov, S.B.,
Standard enthalpies of formation of 1,1,1-trifluoropropyl ether and methyl pentafluoropropionate,
Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 456-457. [all data]
Kolesov and Kozina, 1986
Kolesov, V.P.; Kozina, M.P.,
Thermochemistry of organic and organohalogen compounds,
Russ. Chem. Rev., 1986, 55, 912. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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