Chemical Properties of Sebacic acid, 2,2-dichloroethyl nonyl ester

InChI

InChI=1S/C21H38Cl2O4/c1-2-3-4-5-8-11-14-17-26-20(24)15-12-9-6-7-10-13-16-21(25)27-18-19(22)23/h19H,2-18H2,1H3

InChI Key

JMNNLXUXMDXZPN-UHFFFAOYSA-N

Formula

C21H38Cl2O4

SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(Cl)Cl

Molecular Weight¹

425.43

• 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	[510.14; 1136.04]	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			5.87170e+01
Coefficient B			1.90872e+00
Coefficient C			-9.73400e-04
Coefficient D			1.42000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	510.14	J/mol×K	273.00	Calculated Property
Cp,gas	618.44	J/mol×K	353.78	Calculated Property
Cp,gas	716.00	J/mol×K	434.56	Calculated Property
Cp,gas	803.27	J/mol×K	515.33	Calculated Property
Cp,gas	880.71	J/mol×K	596.11	Calculated Property
Cp,gas	948.76	J/mol×K	676.89	Calculated Property
Cp,gas	1007.86	J/mol×K	757.67	Calculated Property
Cp,gas	1058.48	J/mol×K	838.44	Calculated Property
Cp,gas	1101.06	J/mol×K	919.22	Calculated Property
Cp,gas	1136.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008571; 0.0000451]	Pa×s	[455.93; 746.56]	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			-1.46239e+01
Coefficient B			3.44770e+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.			455.93
Temperature range, max.			746.56
η	0.0008571	Pa×s	455.93	Calculated Property
η	0.0005198	Pa×s	488.22	Calculated Property
η	0.0003354	Pa×s	520.51	Calculated Property
η	0.0002278	Pa×s	552.81	Calculated Property
η	0.0001614	Pa×s	585.10	Calculated Property
η	0.0001186	Pa×s	617.39	Calculated Property
η	0.0000899	Pa×s	649.68	Calculated Property
η	0.0000699	Pa×s	681.97	Calculated Property
η	0.0000556	Pa×s	714.27	Calculated Property
η	0.0000451	Pa×s	746.56	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,2-dichloroethyl nonyl 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.