Chemical Properties of Azelaic acid, bis(2,2,4-trimethyl pentyl) ester (CAS 1931-83-5)

InChI

InChI=1S/C25H48O4/c1-20(2)16-24(5,6)18-28-22(26)14-12-10-9-11-13-15-23(27)29-19-25(7,8)17-21(3)4/h20-21H,9-19H2,1-8H3

InChI Key

RCVKOPJDEMAVNV-UHFFFAOYSA-N

Formula

C25H48O4

SMILES

CC(C)CC(C)(C)COC(=O)CCCCCCCC(=O)OCC(C)(C)CC(C)C

Molecular Weight¹

412.65

CAS

1931-83-5

• 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).
• 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	[564.95; 1329.33]	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			-2.13290e+01
Coefficient B			2.53276e+00
Coefficient C			-1.49700e-03
Coefficient D			3.14900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	564.95	J/mol×K	273.00	Calculated Property
Cp,gas	701.29	J/mol×K	353.78	Calculated Property
Cp,gas	822.45	J/mol×K	434.56	Calculated Property
Cp,gas	929.43	J/mol×K	515.33	Calculated Property
Cp,gas	1023.23	J/mol×K	596.11	Calculated Property
Cp,gas	1104.84	J/mol×K	676.89	Calculated Property
Cp,gas	1175.26	J/mol×K	757.67	Calculated Property
Cp,gas	1235.48	J/mol×K	838.44	Calculated Property
Cp,gas	1286.51	J/mol×K	919.22	Calculated Property
Cp,gas	1329.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011335; 0.0000211]	Pa×s	[431.01; 755.10]	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			-1.60644e+01
Coefficient B			4.00060e+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.			431.01
Temperature range, max.			755.10
η	0.0011335	Pa×s	431.01	Calculated Property
η	0.0005541	Pa×s	467.02	Calculated Property
η	0.0003001	Pa×s	503.03	Calculated Property
η	0.0001764	Pa×s	539.04	Calculated Property
η	0.0001108	Pa×s	575.05	Calculated Property
η	0.0000736	Pa×s	611.06	Calculated Property
η	0.0000511	Pa×s	647.07	Calculated Property
η	0.0000369	Pa×s	683.08	Calculated Property
η	0.0000275	Pa×s	719.09	Calculated Property
η	0.0000211	Pa×s	755.10	Calculated Property

Similar Compounds

Find more compounds similar to Azelaic acid, bis(2,2,4-trimethyl pentyl) ester.

Sources

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

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