Chemical Properties of Sebacic acid, geranyl isobutyl ester

InChI

InChI=1S/C24H42O4/c1-20(2)13-12-14-22(5)17-18-27-23(25)15-10-8-6-7-9-11-16-24(26)28-19-21(3)4/h13,17,21H,6-12,14-16,18-19H2,1-5H3/b22-17+

InChI Key

JMWDXLBOPAWUOD-OQKWZONESA-N

Formula

C24H42O4

SMILES

CC(C)=CCCC(C)=CCOC(=O)CCCCCCCCC(=O)OCC(C)C

Molecular Weight¹

394.59

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[519.27; 1212.56]	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			2.46200e+00
Coefficient B			2.22000e+00
Coefficient C			-1.26800e-03
Coefficient D			2.58100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	519.27	J/mol×K	273.00	Calculated Property
Cp,gas	640.58	J/mol×K	353.78	Calculated Property
Cp,gas	748.91	J/mol×K	434.56	Calculated Property
Cp,gas	845.08	J/mol×K	515.33	Calculated Property
Cp,gas	929.92	J/mol×K	596.11	Calculated Property
Cp,gas	1004.23	J/mol×K	676.89	Calculated Property
Cp,gas	1068.83	J/mol×K	757.67	Calculated Property
Cp,gas	1124.55	J/mol×K	838.44	Calculated Property
Cp,gas	1172.18	J/mol×K	919.22	Calculated Property
Cp,gas	1212.56	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, geranyl isobutyl ester.

Sources

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

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