Chemical Properties of Adipic acid, 2-chloro-5-methylphenyl decyl ester

InChI

InChI=1S/C23H35ClO4/c1-3-4-5-6-7-8-9-12-17-27-22(25)13-10-11-14-23(26)28-21-18-19(2)15-16-20(21)24/h15-16,18H,3-14,17H2,1-2H3

InChI Key

HDZFRULFDLRZOL-UHFFFAOYSA-N

Formula

C23H35ClO4

SMILES

CCCCCCCCCCOC(=O)CCCCC(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

410.98

• 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	[487.32; 1105.80]	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			4.03830e+01
Coefficient B			1.88814e+00
Coefficient C			-9.55720e-04
Coefficient D			1.33000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	487.32	J/mol×K	273.00	Calculated Property
Cp,gas	594.64	J/mol×K	353.78	Calculated Property
Cp,gas	691.32	J/mol×K	434.56	Calculated Property
Cp,gas	777.80	J/mol×K	515.33	Calculated Property
Cp,gas	854.48	J/mol×K	596.11	Calculated Property
Cp,gas	921.80	J/mol×K	676.89	Calculated Property
Cp,gas	980.17	J/mol×K	757.67	Calculated Property
Cp,gas	1030.02	J/mol×K	838.44	Calculated Property
Cp,gas	1071.75	J/mol×K	919.22	Calculated Property
Cp,gas	1105.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004078; 0.0000430]	Pa×s	[515.01; 786.45]	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			-1.43245e+01
Coefficient B			3.35778e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			515.01
Temperature range, max.			786.45
η	0.0004078	Pa×s	515.01	Calculated Property
η	0.0002843	Pa×s	545.17	Calculated Property
η	0.0002059	Pa×s	575.33	Calculated Property
η	0.0001539	Pa×s	605.49	Calculated Property
η	0.0001183	Pa×s	635.65	Calculated Property
η	0.0000932	Pa×s	665.81	Calculated Property
η	0.0000749	Pa×s	695.97	Calculated Property
η	0.0000613	Pa×s	726.13	Calculated Property
η	0.0000510	Pa×s	756.29	Calculated Property
η	0.0000430	Pa×s	786.45	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2-chloro-5-methylphenyl decyl ester.

Sources

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

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