Ethyl acetoacetate
- Formula: C6H10O3
- Molecular weight: 130.1418
- IUPAC Standard InChI: InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
- IUPAC Standard InChIKey: XYIBRDXRRQCHLP-UHFFFAOYSA-N
- CAS Registry Number: 141-97-9
- 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: Butanoic acid, 3-oxo-, ethyl ester; Acetoacetic acid, ethyl ester; Active acetylacetate; Diacetic ether; Ethyl acetylacetate; Ethyl 3-oxobutanoate; Ethyl 3-oxobutyrate; EAA; Acetoctan ethylnaty; Ethylacetacetat; Ethylester kyseliny acetoctove; 3-Oxobutanoic acid ethyl ester; 1-Ethoxybutane-1,3-dione; NSC 8657
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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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 454. ± 2. | K | AVG | N/A | Average of 10 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 54.18 ± 0.96 | kJ/mol | C | Ribeiro da Silva, Ferrao, et al., 1995 | ALS |
| ΔvapH° | 54.2 | kJ/mol | N/A | Ribeiro da Silva, Ferrao, et al., 1995 | DRB |
| ΔvapH° | 54.2 ± 1.0 | kJ/mol | C | Ribeiro da Silva, Ferrao, et al., 1995 | AC |
| ΔvapH° | 50.54 | kJ/mol | V | Vilcu, Perisanu, et al., 1975 | ALS |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 347.2 | 0.019 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 52.5 | 316. | A | Stephenson and Malanowski, 1987 | Based on data from 301. - 454. K.; 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 |
|---|---|---|---|---|---|
| 301.7 - 454.0 | 5.16327 | 2189.547 | -29.184 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro da Silva, Ferrao, et al., 1995
Ribeiro da Silva, M.A.V.; Ferrao, M.L.C.C.H.; Jiye, F.,
Standard molar enthalpy of formation and of vaporization of ethyl 3-oxobutanoate,
J. Chem. Eng. Data, 1995, 40, 426-428. [all data]
Vilcu, Perisanu, et al., 1975
Vilcu, R.; Perisanu, S.; Ciocazanu, I.,
Heats of formation in the ideal gas state of some substances containing carbon, hydrogen and oxygen,
Conf. Int. Thermodyn. Chim. C.R. 4th, 1975, 1, 105-112. [all data]
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]
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]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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