Chemical Properties of Sebacic acid, 10-chlorodecyl isohexyl ester

InChI

InChI=1S/C26H49ClO4/c1-24(2)18-17-23-31-26(29)20-14-10-6-5-9-13-19-25(28)30-22-16-12-8-4-3-7-11-15-21-27/h24H,3-23H2,1-2H3

InChI Key

JKIHYHQTAMCDSG-UHFFFAOYSA-N

Formula

C26H49ClO4

SMILES

CC(C)CCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCl

Molecular Weight¹

461.12

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[602.80; 1385.72]	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			4.12810e+01
Coefficient B			2.37694e+00
Coefficient C			-1.22500e-03
Coefficient D			1.92500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	602.80	J/mol×K	273.00	Calculated Property
Cp,gas	737.39	J/mol×K	353.78	Calculated Property
Cp,gas	858.66	J/mol×K	434.56	Calculated Property
Cp,gas	967.22	J/mol×K	515.33	Calculated Property
Cp,gas	1063.68	J/mol×K	596.11	Calculated Property
Cp,gas	1148.64	J/mol×K	676.89	Calculated Property
Cp,gas	1222.71	J/mol×K	757.67	Calculated Property
Cp,gas	1286.51	J/mol×K	838.44	Calculated Property
Cp,gas	1340.65	J/mol×K	919.22	Calculated Property
Cp,gas	1385.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005666; 0.0000236]	Pa×s	[482.36; 816.67]	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			-1.52443e+01
Coefficient B			3.74718e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			482.36
Temperature range, max.			816.67
η	0.0005666	Pa×s	482.36	Calculated Property
η	0.0003251	Pa×s	519.51	Calculated Property
η	0.0002009	Pa×s	556.65	Calculated Property
η	0.0001319	Pa×s	593.80	Calculated Property
η	0.0000909	Pa×s	630.94	Calculated Property
η	0.0000654	Pa×s	668.09	Calculated Property
η	0.0000486	Pa×s	705.23	Calculated Property
η	0.0000373	Pa×s	742.38	Calculated Property
η	0.0000293	Pa×s	779.53	Calculated Property
η	0.0000236	Pa×s	816.67	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 10-chlorodecyl isohexyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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