Chemical Properties of Diethyl glutaconate (CAS 2049-67-4)

InChI

InChI=1S/C9H14O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+

InChI Key

JHCKGVJZNIWNJK-AATRIKPKSA-N

Formula

C9H14O4

SMILES

CCOC(=O)C=CCC(=O)OCC

Molecular Weight¹

186.21

CAS

2049-67-4

Other Names

• 2-Pentenedioic acid, diethyl ester
• Glutaconic acid, diethyl ester
• Diethyl 2-pentenedioate
• diethyl pent-2-enedioate

• 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	[215.08; 469.28]	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			3.13430e+01
Coefficient B			7.69240e-01
Coefficient C			-3.60400e-04
Coefficient D			2.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.08	J/mol×K	273.00	Calculated Property
Cp,gas	259.66	J/mol×K	353.78	Calculated Property
Cp,gas	299.95	J/mol×K	434.56	Calculated Property
Cp,gas	336.03	J/mol×K	515.33	Calculated Property
Cp,gas	367.99	J/mol×K	596.11	Calculated Property
Cp,gas	395.93	J/mol×K	676.89	Calculated Property
Cp,gas	419.94	J/mol×K	757.67	Calculated Property
Cp,gas	440.10	J/mol×K	838.44	Calculated Property
Cp,gas	456.52	J/mol×K	919.22	Calculated Property
Cp,gas	469.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047054; 0.0001884]	Pa×s	[270.77; 497.11]	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			-1.24261e+01
Coefficient B			1.91356e+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.			270.77
Temperature range, max.			497.11
η	0.0047054	Pa×s	270.77	Calculated Property
η	0.0025808	Pa×s	295.92	Calculated Property
η	0.0015552	Pa×s	321.07	Calculated Property
η	0.0010087	Pa×s	346.22	Calculated Property
η	0.0006938	Pa×s	371.37	Calculated Property
η	0.0005004	Pa×s	396.51	Calculated Property
η	0.0003752	Pa×s	421.66	Calculated Property
η	0.0002906	Pa×s	446.81	Calculated Property
η	0.0002313	Pa×s	471.96	Calculated Property
η	0.0001884	Pa×s	497.11	Calculated Property

Similar Compounds

Find more compounds similar to Diethyl glutaconate.

Sources

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

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