Chemical Properties of Sebacic acid, pentyl undecyl ester

InChI

InChI=1S/C26H50O4/c1-3-5-7-8-9-10-13-16-20-24-30-26(28)22-18-15-12-11-14-17-21-25(27)29-23-19-6-4-2/h3-24H2,1-2H3

InChI Key

JBRPCSLUHXACHT-UHFFFAOYSA-N

Formula

C26H50O4

SMILES

CCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCC

Molecular Weight¹

426.67

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[589.71; 1376.91]	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			3.00720e+01
Coefficient B			2.36424e+00
Coefficient C			-1.20140e-03
Coefficient D			1.84000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	589.71	J/mol×K	273.00	Calculated Property
Cp,gas	724.27	J/mol×K	353.78	Calculated Property
Cp,gas	845.69	J/mol×K	434.56	Calculated Property
Cp,gas	954.57	J/mol×K	515.33	Calculated Property
Cp,gas	1051.48	J/mol×K	596.11	Calculated Property
Cp,gas	1137.01	J/mol×K	676.89	Calculated Property
Cp,gas	1211.73	J/mol×K	757.67	Calculated Property
Cp,gas	1276.24	J/mol×K	838.44	Calculated Property
Cp,gas	1331.10	J/mol×K	919.22	Calculated Property
Cp,gas	1376.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006589; 0.0000310]	Pa×s	[467.44; 783.85]	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			-1.48940e+01
Coefficient B			3.53804e+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.			467.44
Temperature range, max.			783.85
η	0.0006589	Pa×s	467.44	Calculated Property
η	0.0003880	Pa×s	502.60	Calculated Property
η	0.0002449	Pa×s	537.75	Calculated Property
η	0.0001635	Pa×s	572.91	Calculated Property
η	0.0001144	Pa×s	608.07	Calculated Property
η	0.0000833	Pa×s	643.22	Calculated Property
η	0.0000626	Pa×s	678.38	Calculated Property
η	0.0000484	Pa×s	713.54	Calculated Property
η	0.0000384	Pa×s	748.69	Calculated Property
η	0.0000310	Pa×s	783.85	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, pentyl undecyl ester.

Sources

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

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