2-Oxopentanedioic acid
- Formula: C5H6O5
- Molecular weight: 146.0981
- IUPAC Standard InChIKey: KPGXRSRHYNQIFN-UHFFFAOYSA-N
- CAS Registry Number: 328-50-7
- 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: 2-Ketoglutaric acid; 2-Oxoglutaric acid; α-Ketoglutaric acid; Pentanedioic acid, 2-oxo-; Glutaric acid, 2-oxo-; Glutaric acid, α-keto-; 2-Oxo-1,5-pentanedioic acid; NSC 17391; α-Oxoglutaric acid
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Henry's Law data, References, Notes
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 | -245.672 | kcal/mol | Ccb | Kobenina and Pobedinskaya, 1983 | |
ΔfH°solid | -245.26 ± 0.21 | kcal/mol | Ccb | Wilhoit and Lei, 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = -245.35 ± 0.21 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -430.476 | kcal/mol | Ccb | Kobenina and Pobedinskaya, 1983 | Corresponding ΔfHºsolid = -244.725 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°solid | -429.94 ± 0.20 | kcal/mol | Ccb | Wilhoit and Lei, 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = -429.49 kcal/mol; Corresponding ΔfHºsolid = -245.26 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Henry's Law data, References, Notes
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 390.9 | K | N/A | Wilhoit and Lei, 1965, 2 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 388.45 | K | N/A | Wilhoit and Lei, 1965, 2 | Uncertainty assigned by TRC = 1.5 K; TRC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
23.9 | 269. to 285. | TPTD | Chattopadhyay and Ziemann, 2005 | Values based on TPTD method are not consistent with values determined by other experimental methods; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.833 | 388.7 | DSC | Contineanu, Chivu, et al., 2005 | AC |
Henry's Law data
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
1.0×10+9 | E | N/A | Value obtained by missing citation using the group contribution method. |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law 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]
Wilhoit and Lei, 1965, 2
Wilhoit, R.C.; Lei, I.,
Thermochemistry of Biologically Important Compounds. Heats of Combustion of Five Organic Acids,
J. Chem. Eng. Data, 1965, 10, 166. [all data]
Chattopadhyay and Ziemann, 2005
Chattopadhyay, Sulekha; Ziemann, Paul J.,
Vapor Pressures of Substituted and Unsubstituted Monocarboxylic and Dicarboxylic Acids Measured Using an Improved Thermal Desorption Particle Beam Mass Spectrometry Method,
Aerosol Science and Technology, 2005, 39, 11, 1085-1100, https://doi.org/10.1080/02786820500421547
. [all data]
Contineanu, Chivu, et al., 2005
Contineanu, I.; Chivu, L.; Perisanu, S.,
Revista di Chim., 2005, 56, 7, 719. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, References
- Symbols used in this document:
Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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