Chemical Properties of Pentanedioic acid, 3-oxo-, dimethyl ester

InChI

InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3

InChI Key

RNJOKCPFLQMDEC-UHFFFAOYSA-N

Formula

C7H10O5

SMILES

COC(=O)CC(=O)CC(=O)OC

Molecular Weight¹

174.15

Other Names

• Acetone dicarboxylic acid, dimethyl ester
• Dimethyl acetonedicarboxylate
• Dimethyl 1,3-acetonedicarboxylate
• Dimethyl «beta»-ketoglutarate
• Dimethyl «beta»-oxoglutarate
• Dimethyl 3-oxopentanedioate
• Glutaric acid, 3-oxo-, dimethyl ester
• Dimethyl 3-oxoglutarate
• NSC 4677
• Pentanedioic acid, 3-oxo-, 1,5-dimethyl ester

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (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_boilr : Boiling point at reduced pressure (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 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.58; 385.70]	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			5.47020e+01
Coefficient B			5.31240e-01
Coefficient C			-1.49100e-04
Coefficient D			-5.11400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.58	J/mol×K	273.00	Calculated Property
Cp,gas	221.72	J/mol×K	353.78	Calculated Property
Cp,gas	253.20	J/mol×K	434.56	Calculated Property
Cp,gas	281.87	J/mol×K	515.33	Calculated Property
Cp,gas	307.56	J/mol×K	596.11	Calculated Property
Cp,gas	330.12	J/mol×K	676.89	Calculated Property
Cp,gas	349.37	J/mol×K	757.67	Calculated Property
Cp,gas	365.16	J/mol×K	838.44	Calculated Property
Cp,gas	377.32	J/mol×K	919.22	Calculated Property
Cp,gas	385.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037707; 0.0002756]	Pa×s	[303.24; 503.38]	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			-1.21601e+01
Coefficient B			1.99519e+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.			303.24
Temperature range, max.			503.38
η	0.0037707	Pa×s	303.24	Calculated Property
η	0.0024054	Pa×s	325.48	Calculated Property
η	0.0016253	Pa×s	347.72	Calculated Property
η	0.0011512	Pa×s	369.95	Calculated Property
η	0.0008479	Pa×s	392.19	Calculated Property
η	0.0006453	Pa×s	414.43	Calculated Property
η	0.0005050	Pa×s	436.67	Calculated Property
η	0.0004047	Pa×s	458.91	Calculated Property
η	0.0003310	Pa×s	481.14	Calculated Property
η	0.0002756	Pa×s	503.38	Calculated Property

Similar Compounds

Find more compounds similar to Pentanedioic acid, 3-oxo-, dimethyl ester.

Sources

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

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