Chemical Properties of Sebacic acid, 3-methylpentyl pentadecyl ester

InChI

InChI=1S/C31H60O4/c1-4-6-7-8-9-10-11-12-13-14-17-20-23-27-34-30(32)24-21-18-15-16-19-22-25-31(33)35-28-26-29(3)5-2/h29H,4-28H2,1-3H3

InChI Key

YPLPOTUSLXROGT-UHFFFAOYSA-N

Formula

C31H60O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCC(C)CC

Molecular Weight¹

496.81

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[695.47; 1635.40]	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			2.38450e+01
Coefficient B			2.84516e+00
Coefficient C			-1.47660e-03
Coefficient D			2.43000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	695.47	J/mol×K	273.00	Calculated Property
Cp,gas	856.35	J/mol×K	353.78	Calculated Property
Cp,gas	1001.33	J/mol×K	434.56	Calculated Property
Cp,gas	1131.17	J/mol×K	515.33	Calculated Property
Cp,gas	1246.64	J/mol×K	596.11	Calculated Property
Cp,gas	1348.52	J/mol×K	676.89	Calculated Property
Cp,gas	1437.56	J/mol×K	757.67	Calculated Property
Cp,gas	1514.55	J/mol×K	838.44	Calculated Property
Cp,gas	1580.24	J/mol×K	919.22	Calculated Property
Cp,gas	1635.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003644; 0.0000114]	Pa×s	[508.79; 901.49]	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			-1.58708e+01
Coefficient B			4.04666e+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.			508.79
Temperature range, max.			901.49
η	0.0003644	Pa×s	508.79	Calculated Property
η	0.0001944	Pa×s	552.42	Calculated Property
η	0.0001137	Pa×s	596.06	Calculated Property
η	0.0000716	Pa×s	639.69	Calculated Property
η	0.0000478	Pa×s	683.32	Calculated Property
η	0.0000335	Pa×s	726.96	Calculated Property
η	0.0000244	Pa×s	770.59	Calculated Property
η	0.0000184	Pa×s	814.22	Calculated Property
η	0.0000143	Pa×s	857.86	Calculated Property
η	0.0000114	Pa×s	901.49	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-methylpentyl pentadecyl ester.

Sources

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

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