(Z)-1-propene-1,2,3-tricarboxylic acid
- Formula: C6H6O6
- Molecular weight: 174.1082
- IUPAC Standard InChI: InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
- IUPAC Standard InChIKey: GTZCVFVGUGFEME-IWQZZHSRSA-N
- CAS Registry Number: 585-84-2
- 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. - Stereoisomers:
- Other names: cis-Aconitic acid
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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°solid | -290.872 | kcal/mol | Ccb | Kobenina and Pobedinskaya, 1983 | Author's hf_298=-1221.59 kJ/mol |
| ΔfH°solid | -292.7 ± 1.8 | kcal/mol | Ccb | Wilhoit and Lei, 1965 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -478.384 | kcal/mol | Ccb | Kobenina and Pobedinskaya, 1983 | Author's hf_298=-1221.59 kJ/mol; Corresponding ΔfHºsolid = -290.868 kcal/mol (simple calculation by NIST; no Washburn corrections) |
| ΔcH°solid | -476.6 ± 1.8 | kcal/mol | Ccb | Wilhoit and Lei, 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = -477.46 kcal/mol; Corresponding ΔfHºsolid = -292.65 kcal/mol (simple calculation by NIST; no Washburn corrections) |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kobenina and Pobedinskaya, 1983
Kobenina, N.M.; Pobedinskaya, A.I.,
Standard heats of combustion and formation of cis-aconitic, α-oxoglutaric, and oxalacetic acids,
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1983, 26, 1015-1016. [all data]
Wilhoit and Lei, 1965
Wilhoit, R.C.; Lei, I.,
Thermochemistry of biologically important compounds. Heats of combustion of five organic acids.,
J. Chem. Eng. Data, 1965, 10, 166-168. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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