Chemical Properties of Adipic acid, eicosyl 3-hexyl ester

InChI

InChI=1S/C32H62O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-35-31(33)27-23-24-28-32(34)36-30(6-3)26-5-2/h30H,4-29H2,1-3H3

InChI Key

TZROWPKKSDDYGB-UHFFFAOYSA-N

Formula

C32H62O4

SMILES

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

Molecular Weight¹

510.83

• 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	[716.68; 1687.00]	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			2.29360e+01
Coefficient B			2.94016e+00
Coefficient C			-1.53100e-03
Coefficient D			2.54900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	716.68	J/mol×K	273.00	Calculated Property
Cp,gas	882.77	J/mol×K	353.78	Calculated Property
Cp,gas	1032.40	J/mol×K	434.56	Calculated Property
Cp,gas	1166.40	J/mol×K	515.33	Calculated Property
Cp,gas	1285.55	J/mol×K	596.11	Calculated Property
Cp,gas	1390.68	J/mol×K	676.89	Calculated Property
Cp,gas	1482.58	J/mol×K	757.67	Calculated Property
Cp,gas	1562.06	J/mol×K	838.44	Calculated Property
Cp,gas	1629.93	J/mol×K	919.22	Calculated Property
Cp,gas	1687.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003098; 0.0000093]	Pa×s	[520.06; 928.42]	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			-1.60419e+01
Coefficient B			4.14082e+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.			520.06
Temperature range, max.			928.42
η	0.0003098	Pa×s	520.06	Calculated Property
η	0.0001635	Pa×s	565.43	Calculated Property
η	0.0000949	Pa×s	610.81	Calculated Property
η	0.0000594	Pa×s	656.18	Calculated Property
η	0.0000395	Pa×s	701.55	Calculated Property
η	0.0000276	Pa×s	746.93	Calculated Property
η	0.0000201	Pa×s	792.30	Calculated Property
η	0.0000151	Pa×s	837.68	Calculated Property
η	0.0000117	Pa×s	883.05	Calculated Property
η	0.0000093	Pa×s	928.42	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, eicosyl 3-hexyl ester.

Sources

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

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