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

InChI

InChI=1S/C25H46O4/c1-4-6-7-8-9-12-15-18-22-28-24(26)20-16-13-10-11-14-17-21-25(27)29-23(3)19-5-2/h5,23H,2,4,6-22H2,1,3H3

InChI Key

GZGBCGBMLNAHMY-UHFFFAOYSA-N

Formula

C25H46O4

SMILES

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

Molecular Weight¹

410.63

• 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	[558.38; 1297.35]	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			2.63080e+01
Coefficient B			2.25514e+00
Coefficient C			-1.17310e-03
Coefficient D			1.89000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	558.38	J/mol×K	273.00	Calculated Property
Cp,gas	685.67	J/mol×K	353.78	Calculated Property
Cp,gas	800.27	J/mol×K	434.56	Calculated Property
Cp,gas	902.78	J/mol×K	515.33	Calculated Property
Cp,gas	993.80	J/mol×K	596.11	Calculated Property
Cp,gas	1073.91	J/mol×K	676.89	Calculated Property
Cp,gas	1143.73	J/mol×K	757.67	Calculated Property
Cp,gas	1203.84	J/mol×K	838.44	Calculated Property
Cp,gas	1254.85	J/mol×K	919.22	Calculated Property
Cp,gas	1297.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009539; 0.0000363]	Pa×s	[439.41; 758.30]	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			-1.47303e+01
Coefficient B			3.41654e+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.			439.41
Temperature range, max.			758.30
η	0.0009539	Pa×s	439.41	Calculated Property
η	0.0005340	Pa×s	474.84	Calculated Property
η	0.0003240	Pa×s	510.28	Calculated Property
η	0.0002098	Pa×s	545.71	Calculated Property
η	0.0001432	Pa×s	581.14	Calculated Property
η	0.0001021	Pa×s	616.57	Calculated Property
η	0.0000756	Pa×s	652.01	Calculated Property
η	0.0000577	Pa×s	687.44	Calculated Property
η	0.0000452	Pa×s	722.87	Calculated Property
η	0.0000363	Pa×s	758.30	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, decyl 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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