Chemical Properties of Glutaric acid, 3-oxobut-2-yl undecyl ester

InChI

InChI=1S/C20H36O5/c1-4-5-6-7-8-9-10-11-12-16-24-19(22)14-13-15-20(23)25-18(3)17(2)21/h18H,4-16H2,1-3H3

InChI Key

VUBQIVHSYXOKGO-UHFFFAOYSA-N

Formula

C20H36O5

SMILES

CCCCCCCCCCCOC(=O)CCCC(=O)OC(C)C(C)=O

Molecular Weight¹

356.50

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[463.04; 1056.92]	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			4.12030e+01
Coefficient B			1.77216e+00
Coefficient C			-8.59500e-04
Coefficient D			1.03060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	463.04	J/mol×K	273.00	Calculated Property
Cp,gas	565.14	J/mol×K	353.78	Calculated Property
Cp,gas	657.46	J/mol×K	434.56	Calculated Property
Cp,gas	740.30	J/mol×K	515.33	Calculated Property
Cp,gas	814.02	J/mol×K	596.11	Calculated Property
Cp,gas	878.92	J/mol×K	676.89	Calculated Property
Cp,gas	935.33	J/mol×K	757.67	Calculated Property
Cp,gas	983.59	J/mol×K	838.44	Calculated Property
Cp,gas	1024.01	J/mol×K	919.22	Calculated Property
Cp,gas	1056.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012649; 0.0000691]	Pa×s	[434.75; 710.47]	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			-1.41647e+01
Coefficient B			3.25709e+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.			434.75
Temperature range, max.			710.47
η	0.0012649	Pa×s	434.75	Calculated Property
η	0.0007724	Pa×s	465.39	Calculated Property
η	0.0005013	Pa×s	496.02	Calculated Property
η	0.0003422	Pa×s	526.66	Calculated Property
η	0.0002436	Pa×s	557.29	Calculated Property
η	0.0001796	Pa×s	587.93	Calculated Property
η	0.0001365	Pa×s	618.56	Calculated Property
η	0.0001065	Pa×s	649.20	Calculated Property
η	0.0000849	Pa×s	679.84	Calculated Property
η	0.0000691	Pa×s	710.47	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-oxobut-2-yl undecyl ester.

Sources

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

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