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

InChI

InChI=1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3

InChI Key

ZSANYRMTSBBUCA-UHFFFAOYSA-N

Formula

C9H14O5

SMILES

CCOC(=O)CC(=O)CC(=O)OCC

Molecular Weight¹

202.21

Other Names

• Glutaric acid, 3-oxo-, diethyl ester
• Acetonedicarboxylic acid, diethyl ester
• Butanoic acid, (ethoxycarbonyl)-3-oxo-, ethyl ester
• Diethyl «beta»-oxoglutarate
• Diethyl acetonedicarboxylate
• Diethyl 1,3-acetonedicarboxylate
• Diethyl 3-oxoglutarate
• Diethyl 3-oxopentanedioate
• Ethyl 3-oxoglutarate
• 3-Oxoglutaric acid, diethyl ester
• 3-Oxopentanedioic acid, diethyl ester
• Ethyl acetonedicarboxylate
• Diethyl «beta»-ketoglutarate
• NSC 9013
• Pentanedioic acid, 3-oxo-, 1,5-diethyl ester

• ω : Acentric Factor.
• 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_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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.01; 488.88]	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			5.28840e+01
Coefficient B			7.21240e-01
Coefficient C			-2.57900e-04
Coefficient D			-2.73400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.01	J/mol×K	273.00	Calculated Property
Cp,gas	274.55	J/mol×K	353.78	Calculated Property
Cp,gas	315.36	J/mol×K	434.56	Calculated Property
Cp,gas	352.33	J/mol×K	515.33	Calculated Property
Cp,gas	385.39	J/mol×K	596.11	Calculated Property
Cp,gas	414.44	J/mol×K	676.89	Calculated Property
Cp,gas	439.40	J/mol×K	757.67	Calculated Property
Cp,gas	460.19	J/mol×K	838.44	Calculated Property
Cp,gas	476.71	J/mol×K	919.22	Calculated Property
Cp,gas	488.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033249; 0.0002466]	Pa×s	[325.78; 532.45]	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			-1.24087e+01
Coefficient B			2.18351e+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.			325.78
Temperature range, max.			532.45
η	0.0033249	Pa×s	325.78	Calculated Property
η	0.0021385	Pa×s	348.74	Calculated Property
η	0.0014525	Pa×s	371.71	Calculated Property
η	0.0010320	Pa×s	394.67	Calculated Property
η	0.0007613	Pa×s	417.63	Calculated Property
η	0.0005797	Pa×s	440.60	Calculated Property
η	0.0004535	Pa×s	463.56	Calculated Property
η	0.0003631	Pa×s	486.53	Calculated Property
η	0.0002966	Pa×s	509.49	Calculated Property
η	0.0002466	Pa×s	532.45	Calculated Property

Similar Compounds

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

Sources

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

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