Chemical Properties of Adipic acid, dodecyl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C24H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-13-16-30-22(28)14-11-12-15-23(29)31-21-18-19(25)17-20(26)24(21)27/h17-18H,2-16H2,1H3

InChI Key

JSTDAKRNMDVBHY-UHFFFAOYSA-N

Formula

C24H35Cl3O4

SMILES

CCCCCCCCCCCCOC(=O)CCCCC(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

493.89

• 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	[537.90; 1170.89]	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			7.95550e+01
Coefficient B			1.93722e+00
Coefficient C			-9.83880e-04
Coefficient D			1.38000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	537.90	J/mol×K	273.00	Calculated Property
Cp,gas	647.87	J/mol×K	353.78	Calculated Property
Cp,gas	746.91	J/mol×K	434.56	Calculated Property
Cp,gas	835.47	J/mol×K	515.33	Calculated Property
Cp,gas	913.97	J/mol×K	596.11	Calculated Property
Cp,gas	982.84	J/mol×K	676.89	Calculated Property
Cp,gas	1042.54	J/mol×K	757.67	Calculated Property
Cp,gas	1093.49	J/mol×K	838.44	Calculated Property
Cp,gas	1136.13	J/mol×K	919.22	Calculated Property
Cp,gas	1170.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001877; 0.0000262]	Pa×s	[598.64; 873.63]	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			-1.48337e+01
Coefficient B			3.74332e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			598.64
Temperature range, max.			873.63
η	0.0001877	Pa×s	598.64	Calculated Property
η	0.0001385	Pa×s	629.19	Calculated Property
η	0.0001052	Pa×s	659.75	Calculated Property
η	0.0000818	Pa×s	690.30	Calculated Property
η	0.0000650	Pa×s	720.86	Calculated Property
η	0.0000526	Pa×s	751.41	Calculated Property
η	0.0000433	Pa×s	781.96	Calculated Property
η	0.0000362	Pa×s	812.52	Calculated Property
η	0.0000306	Pa×s	843.07	Calculated Property
η	0.0000262	Pa×s	873.63	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, dodecyl 2,3,5-trichlorophenyl ester.

Sources

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

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