Pentanoic acid, 4-oxo-, ethyl ester
- Formula: C7H12O3
- Molecular weight: 144.1684
- IUPAC Standard InChI: InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
- IUPAC Standard InChIKey: GMEONFUTDYJSNV-UHFFFAOYSA-N
- CAS Registry Number: 539-88-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Levulinic acid, ethyl ester; Ethyl laevulinate; Ethyl levulate; Ethyl levulinate; Ethyl 3-acetylpropionate; Ethyl 4-ketovalerate; Ethyl 4-oxopentanoate; Ethyl 4-oxovalerate; Ethyl ketovalerate; 4-Oxopentanoic acid ethyl ester; NSC 24876
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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
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 479.0 | K | N/A | Weast and Grasselli, 1989 | BS |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 366.7 | 0.024 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 58.3 | 335. | A | Stephenson and Malanowski, 1987 | Based on data from 320. to 480. K. See also Stull, 1947.; AC |
| 51.6 | 420. | N/A | Schuette and Cowley, 1931 | AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 320.4 to 479.4 | 4.99797 | 2165.008 | -45.466 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Schuette and Cowley, 1931
Schuette, H.A.; Cowley, Milford A.,
LEVULINIC ACID. II. THE VAPOR PRESSURES OF ITS ALKYL ESTERS (C 1 --C 6,
J. Am. Chem. Soc., 1931, 53, 9, 3485-3489, https://doi.org/10.1021/ja01360a039
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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