Chemical Properties of 2-Oxopentanedioic acid (CAS 328-50-7)

InChI

InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)

InChI Key

KPGXRSRHYNQIFN-UHFFFAOYSA-N

Formula

C5H6O5

SMILES

O=C(O)CCC(=O)C(=O)O

Molecular Weight¹

146.10

CAS

328-50-7

Other Names

• 2-Ketoglutaric acid
• 2-Oxo-1,5-pentanedioic acid
• 2-Oxoglutaric acid
• Glutaric acid, 2-oxo-
• Glutaric acid, «alpha»-keto-
• NSC 17391
• Pentanedioic acid, 2-oxo-
• «alpha»-Ketoglutaric acid
• «alpha»-Oxoglutaric acid

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8421		Relay (1.0) Calculated Property
ΔcH°solid	[-1801.11; -1798.90]	kJ/mol
ΔcH°solid	-1801.11	kJ/mol	NIST
ΔcH°solid	-1798.90 ± 0.84	kJ/mol	NIST
ΔfH°gas	-904.05	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-1027.89; -1026.20]	kJ/mol
ΔfH°solid	-1027.89	kJ/mol	NIST
ΔfH°solid	-1026.20 ± 0.88	kJ/mol	NIST
ΔfusH°	30.59	kJ/mol	Joback Calculated Property
ΔvapH°	95.43	kJ/mol	Relay (1.0) Calculated Property
IE	10.14	eV	Relay (1.0) Calculated Property
log10WS	8.90e-03		Relay (1.0) Calculated Property
logPoct/wat	-0.495		Crippen Calculated Property
McVol	97.760	ml/mol	McGowan Calculated Property
Pc	4710.65	kPa	Joback Calculated Property
Tboil	515.55	K	Relay (1.0) Calculated Property
Tc	792.29	K	Relay (1.0) Calculated Property
Tfus	[388.45; 390.90]	K
Tfus	388.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	390.90 ± 1.00	K	NIST
Tfus	388.45 ± 1.50	K	NIST
Tfus	390.90 ± 1.00	K	NIST
Tfus	388.45 ± 1.50	K	NIST
Vc	0.379	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.72; 287.86]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.49020e+01
Coefficient B			5.52400e-01
Coefficient C			-3.74700e-04
Coefficient D			9.52600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.72	J/mol×K	273.00	Calculated Property
Cp,gas	167.65	J/mol×K	353.78	Calculated Property
Cp,gas	192.01	J/mol×K	434.56	Calculated Property
Cp,gas	213.10	J/mol×K	515.33	Calculated Property
Cp,gas	231.22	J/mol×K	596.11	Calculated Property
Cp,gas	246.68	J/mol×K	676.89	Calculated Property
Cp,gas	259.77	J/mol×K	757.67	Calculated Property
Cp,gas	270.80	J/mol×K	838.44	Calculated Property
Cp,gas	280.06	J/mol×K	919.22	Calculated Property
Cp,gas	287.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039460; 0.0003626]	Pa×s	[389.47; 610.85]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.21217e+01
Coefficient B			2.56531e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			389.47
Temperature range, max.			610.85
η	0.0039460	Pa×s	389.47	Calculated Property
η	0.0026683	Pa×s	414.07	Calculated Property
η	0.0018852	Pa×s	438.67	Calculated Property
η	0.0013820	Pa×s	463.26	Calculated Property
η	0.0010453	Pa×s	487.86	Calculated Property
η	0.0008122	Pa×s	512.46	Calculated Property
η	0.0006457	Pa×s	537.06	Calculated Property
η	0.0005239	Pa×s	561.65	Calculated Property
η	0.0004325	Pa×s	586.25	Calculated Property
η	0.0003626	Pa×s	610.85	Calculated Property

Similar Compounds

Find more compounds similar to 2-Oxopentanedioic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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