Chemical Properties of Adipic acid, eicosyl 4-methylpent-2-yl ester

InChI

InChI=1S/C32H62O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-35-31(33)25-22-23-26-32(34)36-30(4)28-29(2)3/h29-30H,5-28H2,1-4H3

InChI Key

SJONMAVGSGWKLY-UHFFFAOYSA-N

Formula

C32H62O4

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OC(C)CC(C)C

Molecular Weight¹

510.84

• 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	[716.37; 1687.53]	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			2.12540e+01
Coefficient B			2.94608e+00
Coefficient C			-1.53420e-03
Coefficient D			2.54400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	716.37	J/mol×K	273.00	Calculated Property
Cp,gas	882.76	J/mol×K	353.78	Calculated Property
Cp,gas	1032.65	J/mol×K	434.56	Calculated Property
Cp,gas	1166.85	J/mol×K	515.33	Calculated Property
Cp,gas	1286.16	J/mol×K	596.11	Calculated Property
Cp,gas	1391.38	J/mol×K	676.89	Calculated Property
Cp,gas	1483.33	J/mol×K	757.67	Calculated Property
Cp,gas	1562.80	J/mol×K	838.44	Calculated Property
Cp,gas	1630.60	J/mol×K	919.22	Calculated Property
Cp,gas	1687.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003699; 0.0000086]	Pa×s	[505.06; 925.29]	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			-1.61759e+01
Coefficient B			4.17864e+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.			505.06
Temperature range, max.			925.29
η	0.0003699	Pa×s	505.06	Calculated Property
η	0.0001836	Pa×s	551.75	Calculated Property
η	0.0001017	Pa×s	598.45	Calculated Property
η	0.0000614	Pa×s	645.14	Calculated Property
η	0.0000396	Pa×s	691.83	Calculated Property
η	0.0000270	Pa×s	738.52	Calculated Property
η	0.0000193	Pa×s	785.22	Calculated Property
η	0.0000143	Pa×s	831.91	Calculated Property
η	0.0000110	Pa×s	878.60	Calculated Property
η	0.0000086	Pa×s	925.29	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, eicosyl 4-methylpent-2-yl ester.

Sources

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

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