Chemical Properties of Sebacic acid, isobutyl tetradec-2-enyl ester

InChI

InChI=1S/C28H52O4/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-31-27(29)22-19-16-13-14-17-20-23-28(30)32-25-26(2)3/h18,21,26H,4-17,19-20,22-25H2,1-3H3/b21-18+

InChI Key

YKKONRMBDWKRCT-DYTRJAOYSA-N

Formula

C28H52O4

SMILES

CCCCCCCCCCC/C=C/COC(=O)CCCCCCCCC(=O)OCC(C)C

Molecular Weight¹

452.72

• 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).
• 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	[617.82; 1450.05]	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			1.23900e+01
Coefficient B			2.58016e+00
Coefficient C			-1.39720e-03
Coefficient D			2.54700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	617.82	J/mol×K	273.00	Calculated Property
Cp,gas	761.60	J/mol×K	353.78	Calculated Property
Cp,gas	890.67	J/mol×K	434.56	Calculated Property
Cp,gas	1005.84	J/mol×K	515.33	Calculated Property
Cp,gas	1107.91	J/mol×K	596.11	Calculated Property
Cp,gas	1197.70	J/mol×K	676.89	Calculated Property
Cp,gas	1276.00	J/mol×K	757.67	Calculated Property
Cp,gas	1343.62	J/mol×K	838.44	Calculated Property
Cp,gas	1401.37	J/mol×K	919.22	Calculated Property
Cp,gas	1450.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005571; 0.0000177]	Pa×s	[469.90; 828.95]	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			-1.54527e+01
Coefficient B			3.74042e+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.			469.90
Temperature range, max.			828.95
η	0.0005571	Pa×s	469.90	Calculated Property
η	0.0002988	Pa×s	509.79	Calculated Property
η	0.0001755	Pa×s	549.69	Calculated Property
η	0.0001107	Pa×s	589.58	Calculated Property
η	0.0000741	Pa×s	629.48	Calculated Property
η	0.0000520	Pa×s	669.37	Calculated Property
η	0.0000380	Pa×s	709.27	Calculated Property
η	0.0000287	Pa×s	749.16	Calculated Property
η	0.0000223	Pa×s	789.06	Calculated Property
η	0.0000177	Pa×s	828.95	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isobutyl tetradec-2-enyl ester.

Sources

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

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