Chemical Properties of Adipic acid, 2,4-dimethylpent-3-yl octadecyl ester

InChI

InChI=1S/C31H60O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-29(32)24-21-22-25-30(33)35-31(27(2)3)28(4)5/h27-28,31H,6-26H2,1-5H3

InChI Key

MDEWGEQXQLYAFQ-UHFFFAOYSA-N

Formula

C31H60O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

496.82

• 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	[694.84; 1636.48]	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			2.04810e+01
Coefficient B			2.85700e+00
Coefficient C			-1.48300e-03
Coefficient D			2.42000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	694.84	J/mol×K	273.00	Calculated Property
Cp,gas	856.33	J/mol×K	353.78	Calculated Property
Cp,gas	1001.82	J/mol×K	434.56	Calculated Property
Cp,gas	1132.07	J/mol×K	515.33	Calculated Property
Cp,gas	1247.85	J/mol×K	596.11	Calculated Property
Cp,gas	1349.93	J/mol×K	676.89	Calculated Property
Cp,gas	1439.06	J/mol×K	757.67	Calculated Property
Cp,gas	1516.02	J/mol×K	838.44	Calculated Property
Cp,gas	1581.57	J/mol×K	919.22	Calculated Property
Cp,gas	1636.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005373; 0.0000097]	Pa×s	[478.79; 896.19]	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			-1.61388e+01
Coefficient B			4.12230e+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.			478.79
Temperature range, max.			896.19
η	0.0005373	Pa×s	478.79	Calculated Property
η	0.0002512	Pa×s	525.17	Calculated Property
η	0.0001329	Pa×s	571.55	Calculated Property
η	0.0000773	Pa×s	617.92	Calculated Property
η	0.0000485	Pa×s	664.30	Calculated Property
η	0.0000324	Pa×s	710.68	Calculated Property
η	0.0000227	Pa×s	757.06	Calculated Property
η	0.0000166	Pa×s	803.44	Calculated Property
η	0.0000125	Pa×s	849.81	Calculated Property
η	0.0000097	Pa×s	896.19	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2,4-dimethylpent-3-yl octadecyl ester.

Sources

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

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