Chemical Properties of Sebacic acid, but-3-enyl hexyl ester

InChI

InChI=1S/C20H36O4/c1-3-5-7-14-18-24-20(22)16-13-11-9-8-10-12-15-19(21)23-17-6-4-2/h4H,2-3,5-18H2,1H3

InChI Key

IDMMLLXRKDEBJO-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

C=CCCOC(=O)CCCCCCCCC(=O)OCCCCCC

Molecular Weight¹

340.50

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[452.62; 1038.86]	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			3.25350e+01
Coefficient B			1.77422e+00
Coefficient C			-8.97900e-04
Coefficient D			1.30000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	452.62	J/mol×K	273.00	Calculated Property
Cp,gas	553.59	J/mol×K	353.78	Calculated Property
Cp,gas	644.64	J/mol×K	434.56	Calculated Property
Cp,gas	726.19	J/mol×K	515.33	Calculated Property
Cp,gas	798.64	J/mol×K	596.11	Calculated Property
Cp,gas	862.40	J/mol×K	676.89	Calculated Property
Cp,gas	917.90	J/mol×K	757.67	Calculated Property
Cp,gas	965.53	J/mol×K	838.44	Calculated Property
Cp,gas	1005.71	J/mol×K	919.22	Calculated Property
Cp,gas	1038.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015287; 0.0000822]	Pa×s	[398.06; 663.54]	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			-1.37886e+01
Coefficient B			2.90792e+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.			398.06
Temperature range, max.			663.54
η	0.0015287	Pa×s	398.06	Calculated Property
η	0.0009235	Pa×s	427.56	Calculated Property
η	0.0005954	Pa×s	457.06	Calculated Property
η	0.0004048	Pa×s	486.55	Calculated Property
η	0.0002877	Pa×s	516.05	Calculated Property
η	0.0002121	Pa×s	545.55	Calculated Property
η	0.0001614	Pa×s	575.05	Calculated Property
η	0.0001261	Pa×s	604.55	Calculated Property
η	0.0001008	Pa×s	634.04	Calculated Property
η	0.0000822	Pa×s	663.54	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, but-3-enyl hexyl ester.

Sources

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

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