Chemical Properties of Sebacic acid, 3-oxobut-2-yl tridecyl ester

InChI

InChI=1S/C27H50O5/c1-4-5-6-7-8-9-10-11-14-17-20-23-31-26(29)21-18-15-12-13-16-19-22-27(30)32-25(3)24(2)28/h25H,4-23H2,1-3H3

InChI Key

VGXRJVKJMBGLBP-UHFFFAOYSA-N

Formula

C27H50O5

SMILES

CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(C)C(C)=O

Molecular Weight¹

454.68

• 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).
• 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 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	[611.54; 1418.06]	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			3.48400e+01
Coefficient B			2.43716e+00
Coefficient C			-1.24030e-03
Coefficient D			1.86360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	611.54	J/mol×K	273.00	Calculated Property
Cp,gas	750.07	J/mol×K	353.78	Calculated Property
Cp,gas	875.00	J/mol×K	434.56	Calculated Property
Cp,gas	986.91	J/mol×K	515.33	Calculated Property
Cp,gas	1086.40	J/mol×K	596.11	Calculated Property
Cp,gas	1174.04	J/mol×K	676.89	Calculated Property
Cp,gas	1250.45	J/mol×K	757.67	Calculated Property
Cp,gas	1316.19	J/mol×K	838.44	Calculated Property
Cp,gas	1371.86	J/mol×K	919.22	Calculated Property
Cp,gas	1418.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004574; 0.0000219]	Pa×s	[513.64; 854.23]	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			-1.53144e+01
Coefficient B			3.91621e+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.			513.64
Temperature range, max.			854.23
η	0.0004574	Pa×s	513.64	Calculated Property
η	0.0002711	Pa×s	551.48	Calculated Property
η	0.0001718	Pa×s	589.33	Calculated Property
η	0.0001151	Pa×s	627.17	Calculated Property
η	0.0000806	Pa×s	665.01	Calculated Property
η	0.0000587	Pa×s	702.85	Calculated Property
η	0.0000442	Pa×s	740.70	Calculated Property
η	0.0000342	Pa×s	778.54	Calculated Property
η	0.0000271	Pa×s	816.38	Calculated Property
η	0.0000219	Pa×s	854.23	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 3-oxobut-2-yl tridecyl ester.

Sources

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

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