Chemical Properties of alpha-KETOADIPIC ACID

InChI

InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)

InChI Key

FGSBNBBHOZHUBO-UHFFFAOYSA-N

Formula

C6H8O5

SMILES

O=C(O)CCCC(=O)C(=O)O

Molecular Weight¹

160.13

Other Names

• Hexanedioic acid, 2-oxo-
• «alpha»-Ketoadipic acid
• 2-Oxohexanedioic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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

Cheméo can also estimate Acentric Factor 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	[160.93; 339.45]	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			1.39930e+01
Coefficient B			6.47400e-01
Coefficient C			-4.29100e-04
Coefficient D			1.07160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.93	J/mol×K	273.00	Calculated Property
Cp,gas	194.07	J/mol×K	353.78	Calculated Property
Cp,gas	223.09	J/mol×K	434.56	Calculated Property
Cp,gas	248.33	J/mol×K	515.33	Calculated Property
Cp,gas	270.13	J/mol×K	596.11	Calculated Property
Cp,gas	288.84	J/mol×K	676.89	Calculated Property
Cp,gas	304.79	J/mol×K	757.67	Calculated Property
Cp,gas	318.31	J/mol×K	838.44	Calculated Property
Cp,gas	329.75	J/mol×K	919.22	Calculated Property
Cp,gas	339.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007488; 0.0003453]	Pa×s	[528.51; 624.58]	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			-1.22290e+01
Coefficient B			2.65947e+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.			528.51
Temperature range, max.			624.58
η	0.0007488	Pa×s	528.51	Calculated Property
η	0.0006778	Pa×s	539.18	Calculated Property
η	0.0006159	Pa×s	549.86	Calculated Property
η	0.0005617	Pa×s	560.53	Calculated Property
η	0.0005140	Pa×s	571.21	Calculated Property
η	0.0004720	Pa×s	581.88	Calculated Property
η	0.0004347	Pa×s	592.56	Calculated Property
η	0.0004015	Pa×s	603.23	Calculated Property
η	0.0003718	Pa×s	613.91	Calculated Property
η	0.0003453	Pa×s	624.58	Calculated Property

Similar Compounds

Find more compounds similar to alpha-KETOADIPIC ACID.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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