Chemical Properties of Adipic acid, 2-chloropropyl tridecyl ester

InChI

InChI=1S/C22H41ClO4/c1-3-4-5-6-7-8-9-10-11-12-15-18-26-21(24)16-13-14-17-22(25)27-19-20(2)23/h20H,3-19H2,1-2H3

InChI Key

ZUBWNGXPHAUZMD-UHFFFAOYSA-N

Formula

C22H41ClO4

SMILES

CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCC(C)Cl

Molecular Weight¹

405.01

• 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	[517.95; 1179.36]	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			4.49170e+01
Coefficient B			1.99694e+00
Coefficient C			-1.00740e-03
Coefficient D			1.44900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	517.95	J/mol×K	273.00	Calculated Property
Cp,gas	631.72	J/mol×K	353.78	Calculated Property
Cp,gas	734.35	J/mol×K	434.56	Calculated Property
Cp,gas	826.30	J/mol×K	515.33	Calculated Property
Cp,gas	908.03	J/mol×K	596.11	Calculated Property
Cp,gas	979.99	J/mol×K	676.89	Calculated Property
Cp,gas	1042.65	J/mol×K	757.67	Calculated Property
Cp,gas	1096.46	J/mol×K	838.44	Calculated Property
Cp,gas	1141.87	J/mol×K	919.22	Calculated Property
Cp,gas	1179.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010384; 0.0000460]	Pa×s	[437.28; 734.01]	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			-1.45781e+01
Coefficient B			3.37054e+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.			437.28
Temperature range, max.			734.01
η	0.0010384	Pa×s	437.28	Calculated Property
η	0.0006049	Pa×s	470.25	Calculated Property
η	0.0003782	Pa×s	503.22	Calculated Property
η	0.0002505	Pa×s	536.19	Calculated Property
η	0.0001741	Pa×s	569.16	Calculated Property
η	0.0001259	Pa×s	602.13	Calculated Property
η	0.0000941	Pa×s	635.10	Calculated Property
η	0.0000724	Pa×s	668.07	Calculated Property
η	0.0000571	Pa×s	701.04	Calculated Property
η	0.0000460	Pa×s	734.01	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2-chloropropyl tridecyl ester.

Sources

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

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