Chemical Properties of Sebacic acid, 2-chloropropyl isohexyl ester

InChI

InChI=1S/C19H35ClO4/c1-16(2)11-10-14-23-18(21)12-8-6-4-5-7-9-13-19(22)24-15-17(3)20/h16-17H,4-15H2,1-3H3

InChI Key

SEKIWLWMCBKNDZ-UHFFFAOYSA-N

Formula

C19H35ClO4

SMILES

CC(C)CCCOC(=O)CCCCCCCCC(=O)OCC(C)Cl

Molecular Weight¹

362.93

• 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	[453.99; 1025.12]	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			4.59620e+01
Coefficient B			1.71786e+00
Coefficient C			-8.47400e-04
Coefficient D			1.08700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	453.99	J/mol×K	273.00	Calculated Property
Cp,gas	552.46	J/mol×K	353.78	Calculated Property
Cp,gas	641.37	J/mol×K	434.56	Calculated Property
Cp,gas	721.07	J/mol×K	515.33	Calculated Property
Cp,gas	791.90	J/mol×K	596.11	Calculated Property
Cp,gas	854.21	J/mol×K	676.89	Calculated Property
Cp,gas	908.35	J/mol×K	757.67	Calculated Property
Cp,gas	954.65	J/mol×K	838.44	Calculated Property
Cp,gas	993.46	J/mol×K	919.22	Calculated Property
Cp,gas	1025.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020743; 0.0000662]	Pa×s	[388.47; 679.26]	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			-1.42248e+01
Coefficient B			3.12588e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			388.47
Temperature range, max.			679.26
η	0.0020743	Pa×s	388.47	Calculated Property
η	0.0011182	Pa×s	420.78	Calculated Property
η	0.0006584	Pa×s	453.09	Calculated Property
η	0.0004159	Pa×s	485.40	Calculated Property
η	0.0002783	Pa×s	517.71	Calculated Property
η	0.0001952	Pa×s	550.02	Calculated Property
η	0.0001424	Pa×s	582.33	Calculated Property
η	0.0001074	Pa×s	614.64	Calculated Property
η	0.0000833	Pa×s	646.95	Calculated Property
η	0.0000662	Pa×s	679.26	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-chloropropyl isohexyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.