Chemical Properties of Sebacic acid, but-2-enyl pentadecyl ester

InChI

InChI=1S/C29H54O4/c1-3-5-7-8-9-10-11-12-13-14-17-20-23-27-33-29(31)25-22-19-16-15-18-21-24-28(30)32-26-6-4-2/h4,6H,3,5,7-27H2,1-2H3/b6-4+

InChI Key

DMYJPNBHZABISR-GQCTYLIASA-N

Formula

C29H54O4

SMILES

CC=CCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCC

Molecular Weight¹

466.74

• 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	[639.35; 1501.10]	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			1.31630e+01
Coefficient B			2.66924e+00
Coefficient C			-1.44840e-03
Coefficient D			2.67100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	639.35	J/mol×K	273.00	Calculated Property
Cp,gas	788.03	J/mol×K	353.78	Calculated Property
Cp,gas	921.50	J/mol×K	434.56	Calculated Property
Cp,gas	1040.62	J/mol×K	515.33	Calculated Property
Cp,gas	1146.22	J/mol×K	596.11	Calculated Property
Cp,gas	1239.15	J/mol×K	676.89	Calculated Property
Cp,gas	1320.26	J/mol×K	757.67	Calculated Property
Cp,gas	1390.40	J/mol×K	838.44	Calculated Property
Cp,gas	1450.39	J/mol×K	919.22	Calculated Property
Cp,gas	1501.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003956; 0.0000160]	Pa×s	[496.17; 854.01]	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			-1.54872e+01
Coefficient B			3.79676e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			496.17
Temperature range, max.			854.01
η	0.0003956	Pa×s	496.17	Calculated Property
η	0.0002242	Pa×s	535.93	Calculated Property
η	0.0001375	Pa×s	575.69	Calculated Property
η	0.0000898	Pa×s	615.45	Calculated Property
η	0.0000617	Pa×s	655.21	Calculated Property
η	0.0000443	Pa×s	694.97	Calculated Property
η	0.0000330	Pa×s	734.73	Calculated Property
η	0.0000253	Pa×s	774.49	Calculated Property
η	0.0000199	Pa×s	814.25	Calculated Property
η	0.0000160	Pa×s	854.01	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, but-2-enyl pentadecyl ester.

Sources

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

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