Pentafluoropropanoic acid methyl ester
- Formula: C4H3F5O2
- Molecular weight: 178.0574
- IUPAC Standard InChI: InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3
- 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 |
Condensed 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°liquid | -349.67 ± 0.43 | kcal/mol | Ccr | Slavutskaya, Kolesov, et al., 1974 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -345.84 ± 0.42 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -342.88 ± 0.41 | kcal/mol | Ccr | Slavutskaya, Kolesov, et al., 1974 |
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 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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