Chemical Properties of Sebacic acid, nonyl pent-4-en-2-yl ester

InChI

InChI=1S/C24H44O4/c1-4-6-7-8-11-14-17-21-27-23(25)19-15-12-9-10-13-16-20-24(26)28-22(3)18-5-2/h5,22H,2,4,6-21H2,1,3H3

InChI Key

PWKPWUQOAOTEGA-UHFFFAOYSA-N

Formula

C24H44O4

SMILES

C=CCC(C)OC(=O)CCCCCCCCC(=O)OCCCCCCCCC

Molecular Weight¹

396.60

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[537.16; 1245.76]	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			2.72170e+01
Coefficient B			2.16014e+00
Coefficient C			-1.11870e-03
Coefficient D			1.77100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	537.16	J/mol×K	273.00	Calculated Property
Cp,gas	659.25	J/mol×K	353.78	Calculated Property
Cp,gas	769.20	J/mol×K	434.56	Calculated Property
Cp,gas	867.55	J/mol×K	515.33	Calculated Property
Cp,gas	954.89	J/mol×K	596.11	Calculated Property
Cp,gas	1031.75	J/mol×K	676.89	Calculated Property
Cp,gas	1098.71	J/mol×K	757.67	Calculated Property
Cp,gas	1156.33	J/mol×K	838.44	Calculated Property
Cp,gas	1205.15	J/mol×K	919.22	Calculated Property
Cp,gas	1245.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011071; 0.0000425]	Pa×s	[428.14; 738.23]	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			-1.45660e+01
Coefficient B			3.32238e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			428.14
Temperature range, max.			738.23
η	0.0011071	Pa×s	428.14	Calculated Property
η	0.0006211	Pa×s	462.59	Calculated Property
η	0.0003775	Pa×s	497.05	Calculated Property
η	0.0002448	Pa×s	531.50	Calculated Property
η	0.0001673	Pa×s	565.96	Calculated Property
η	0.0001195	Pa×s	600.41	Calculated Property
η	0.0000885	Pa×s	634.87	Calculated Property
η	0.0000676	Pa×s	669.32	Calculated Property
η	0.0000530	Pa×s	703.78	Calculated Property
η	0.0000425	Pa×s	738.23	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, nonyl pent-4-en-2-yl ester.

Sources

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

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