Chemical Properties of Sebacic acid, butyl 2-chlorophenyl ester

InChI

InChI=1S/C20H29ClO4/c1-2-3-16-24-19(22)14-8-6-4-5-7-9-15-20(23)25-18-13-11-10-12-17(18)21/h10-13H,2-9,14-16H2,1H3

InChI Key

AJWWFKYVIANCLJ-UHFFFAOYSA-N

Formula

C20H29ClO4

SMILES

CCCCOC(=O)CCCCCCCCC(=O)Oc1ccccc1Cl

Molecular Weight¹

368.89

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.13; 954.07]	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			2.88110e+01
Coefficient B			1.66262e+00
Coefficient C			-8.59560e-04
Coefficient D			1.22200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	421.13	J/mol×K	273.00	Calculated Property
Cp,gas	514.84	J/mol×K	353.78	Calculated Property
Cp,gas	599.02	J/mol×K	434.56	Calculated Property
Cp,gas	674.07	J/mol×K	515.33	Calculated Property
Cp,gas	740.36	J/mol×K	596.11	Calculated Property
Cp,gas	798.29	J/mol×K	676.89	Calculated Property
Cp,gas	848.24	J/mol×K	757.67	Calculated Property
Cp,gas	890.59	J/mol×K	838.44	Calculated Property
Cp,gas	925.74	J/mol×K	919.22	Calculated Property
Cp,gas	954.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007042; 0.0000647]	Pa×s	[468.68; 729.85]	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			-1.39295e+01
Coefficient B			3.12656e+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.			468.68
Temperature range, max.			729.85
η	0.0007042	Pa×s	468.68	Calculated Property
η	0.0004773	Pa×s	497.70	Calculated Property
η	0.0003376	Pa×s	526.72	Calculated Property
η	0.0002477	Pa×s	555.74	Calculated Property
η	0.0001873	Pa×s	584.75	Calculated Property
η	0.0001455	Pa×s	613.77	Calculated Property
η	0.0001156	Pa×s	642.79	Calculated Property
η	0.0000937	Pa×s	671.81	Calculated Property
η	0.0000773	Pa×s	700.83	Calculated Property
η	0.0000647	Pa×s	729.85	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, butyl 2-chlorophenyl ester.

Sources

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

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