Chemical Properties of Sebacic acid, 8-chlorooctyl isohexyl ester

InChI

InChI=1S/C24H45ClO4/c1-22(2)16-15-21-29-24(27)18-12-8-4-3-7-11-17-23(26)28-20-14-10-6-5-9-13-19-25/h22H,3-21H2,1-2H3

InChI Key

VUYIZNIWHUIJKF-UHFFFAOYSA-N

Formula

C24H45ClO4

SMILES

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

Molecular Weight¹

433.07

• 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	[560.38; 1282.54]	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			4.30990e+01
Coefficient B			2.18694e+00
Coefficient C			-1.11620e-03
Coefficient D			1.68700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	560.38	J/mol×K	273.00	Calculated Property
Cp,gas	684.56	J/mol×K	353.78	Calculated Property
Cp,gas	796.51	J/mol×K	434.56	Calculated Property
Cp,gas	896.76	J/mol×K	515.33	Calculated Property
Cp,gas	985.85	J/mol×K	596.11	Calculated Property
Cp,gas	1064.32	J/mol×K	676.89	Calculated Property
Cp,gas	1132.68	J/mol×K	757.67	Calculated Property
Cp,gas	1191.48	J/mol×K	838.44	Calculated Property
Cp,gas	1241.26	J/mol×K	919.22	Calculated Property
Cp,gas	1282.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007698; 0.0000333]	Pa×s	[459.82; 773.88]	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			-1.49091e+01
Coefficient B			3.55886e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			459.82
Temperature range, max.			773.88
η	0.0007698	Pa×s	459.82	Calculated Property
η	0.0004459	Pa×s	494.72	Calculated Property
η	0.0002776	Pa×s	529.61	Calculated Property
η	0.0001832	Pa×s	564.51	Calculated Property
η	0.0001269	Pa×s	599.40	Calculated Property
η	0.0000916	Pa×s	634.30	Calculated Property
η	0.0000683	Pa×s	669.19	Calculated Property
η	0.0000525	Pa×s	704.09	Calculated Property
η	0.0000414	Pa×s	738.98	Calculated Property
η	0.0000333	Pa×s	773.88	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 8-chlorooctyl 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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