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

InChI

InChI=1S/C23H42O4/c1-3-5-7-8-11-14-17-21-27-23(25)19-16-13-10-9-12-15-18-22(24)26-20-6-4-2/h4H,2-3,5-21H2,1H3

InChI Key

DXNXEXUFJODZPS-UHFFFAOYSA-N

Formula

C23H42O4

SMILES

C=CCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCC

Molecular Weight¹

382.58

• 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	[516.26; 1193.63]	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			2.98080e+01
Coefficient B			2.05922e+00
Coefficient C			-1.06110e-03
Coefficient D			1.65700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	516.26	J/mol×K	273.00	Calculated Property
Cp,gas	632.85	J/mol×K	353.78	Calculated Property
Cp,gas	737.87	J/mol×K	434.56	Calculated Property
Cp,gas	831.88	J/mol×K	515.33	Calculated Property
Cp,gas	915.37	J/mol×K	596.11	Calculated Property
Cp,gas	988.89	J/mol×K	676.89	Calculated Property
Cp,gas	1052.95	J/mol×K	757.67	Calculated Property
Cp,gas	1108.07	J/mol×K	838.44	Calculated Property
Cp,gas	1154.79	J/mol×K	919.22	Calculated Property
Cp,gas	1193.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010265; 0.0000537]	Pa×s	[431.87; 719.04]	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			-1.42690e+01
Coefficient B			3.19040e+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.			431.87
Temperature range, max.			719.04
η	0.0010265	Pa×s	431.87	Calculated Property
η	0.0006175	Pa×s	463.78	Calculated Property
η	0.0003965	Pa×s	495.69	Calculated Property
η	0.0002687	Pa×s	527.59	Calculated Property
η	0.0001903	Pa×s	559.50	Calculated Property
η	0.0001399	Pa×s	591.41	Calculated Property
η	0.0001062	Pa×s	623.32	Calculated Property
η	0.0000827	Pa×s	655.22	Calculated Property
η	0.0000660	Pa×s	687.13	Calculated Property
η	0.0000537	Pa×s	719.04	Calculated Property

Similar Compounds

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

Sources

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

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