Ethyl diacetoacetate
- Formula: C8H12O4
- Molecular weight: 172.1785
- IUPAC Standard InChI: InChI=1S/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3
- IUPAC Standard InChIKey: YMCDYRGMTRCAPZ-UHFFFAOYSA-N
- CAS Registry Number: 603-69-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Butanoic acid, 2-acetyl-3-oxo-, ethyl ester; Acetoacetic acid, 2-acetyl-, ethyl ester; Ethyl diacetylacetate; Ethyl 2-acetylacetoacetate
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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 | -789.5 | kJ/mol | Ccb | Guinchant, 1918 | Author hf288_condensed[kcal/mol]=-196.0 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4073.5 | kJ/mol | Ccb | Guinchant, 1918 | Author hf288_condensed[kcal/mol]=-196.0 kcal/mol; Corresponding ΔfHºliquid = -789.60 kJ/mol (simple calculation by NIST; no Washburn corrections) |
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 by: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference |
|---|---|---|
| 377.2 | 0.021 | Weast and Grasselli, 1989 |
| 377. | 0.021 | Buckingham and Donaghy, 1982 |
References
Go To: Top, 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.
Guinchant, 1918
Guinchant, M.J.,
Etude sur la fonction acide dans les derives metheniques et methiniques,
Ann. Chem., 1918, 10, 30-84. [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]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Notes
Go To: Top, 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°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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