Chemical Properties of Sebacic acid, tetrahydrofurfuryl tridecyl ester

InChI

InChI=1S/C28H52O5/c1-2-3-4-5-6-7-8-9-12-15-18-23-32-27(29)21-16-13-10-11-14-17-22-28(30)33-25-26-20-19-24-31-26/h26H,2-25H2,1H3

InChI Key

CSDZPVKESHUTPY-UHFFFAOYSA-N

Formula

C28H52O5

SMILES

CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC1CCCO1

Molecular Weight¹

468.72

• 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	[616.28; 1482.91]	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			-1.49090e+01
Coefficient B			2.68292e+00
Coefficient C			-1.42370e-03
Coefficient D			2.38600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	616.28	J/mol×K	273.00	Calculated Property
Cp,gas	766.62	J/mol×K	353.78	Calculated Property
Cp,gas	901.70	J/mol×K	434.56	Calculated Property
Cp,gas	1022.25	J/mol×K	515.33	Calculated Property
Cp,gas	1129.04	J/mol×K	596.11	Calculated Property
Cp,gas	1222.82	J/mol×K	676.89	Calculated Property
Cp,gas	1304.34	J/mol×K	757.67	Calculated Property
Cp,gas	1374.36	J/mol×K	838.44	Calculated Property
Cp,gas	1433.63	J/mol×K	919.22	Calculated Property
Cp,gas	1482.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004751; 0.0000276]	Pa×s	[527.45; 862.27]	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			-1.49780e+01
Coefficient B			3.86413e+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.			527.45
Temperature range, max.			862.27
η	0.0004751	Pa×s	527.45	Calculated Property
η	0.0002932	Pa×s	564.65	Calculated Property
η	0.0001921	Pa×s	601.86	Calculated Property
η	0.0001322	Pa×s	639.06	Calculated Property
η	0.0000948	Pa×s	676.26	Calculated Property
η	0.0000704	Pa×s	713.46	Calculated Property
η	0.0000538	Pa×s	750.67	Calculated Property
η	0.0000422	Pa×s	787.87	Calculated Property
η	0.0000338	Pa×s	825.07	Calculated Property
η	0.0000276	Pa×s	862.27	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, tetrahydrofurfuryl tridecyl ester.

Sources

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

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