Chemical Properties of Sebacic acid, isobutyl 3-methylbutyl ester

InChI

InChI=1S/C19H36O4/c1-16(2)13-14-22-18(20)11-9-7-5-6-8-10-12-19(21)23-15-17(3)4/h16-17H,5-15H2,1-4H3

InChI Key

MPTACSBEAPGTLK-UHFFFAOYSA-N

Formula

C19H36O4

SMILES

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

Molecular Weight¹

328.49

• 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	[440.59; 1016.85]	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			3.30710e+01
Coefficient B			1.71108e+00
Coefficient C			-8.27000e-04
Coefficient D			9.97000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	440.59	J/mol×K	273.00	Calculated Property
Cp,gas	539.32	J/mol×K	353.78	Calculated Property
Cp,gas	628.64	J/mol×K	434.56	Calculated Property
Cp,gas	708.87	J/mol×K	515.33	Calculated Property
Cp,gas	780.31	J/mol×K	596.11	Calculated Property
Cp,gas	843.29	J/mol×K	676.89	Calculated Property
Cp,gas	898.12	J/mol×K	757.67	Calculated Property
Cp,gas	945.11	J/mol×K	838.44	Calculated Property
Cp,gas	984.58	J/mol×K	919.22	Calculated Property
Cp,gas	1016.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030574; 0.0000765]	Pa×s	[358.55; 648.97]	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			-1.40305e+01
Coefficient B			2.95456e+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.			358.55
Temperature range, max.			648.97
η	0.0030574	Pa×s	358.55	Calculated Property
η	0.0015484	Pa×s	390.82	Calculated Property
η	0.0008699	Pa×s	423.09	Calculated Property
η	0.0005303	Pa×s	455.36	Calculated Property
η	0.0003452	Pa×s	487.62	Calculated Property
η	0.0002370	Pa×s	519.89	Calculated Property
η	0.0001700	Pa×s	552.16	Calculated Property
η	0.0001265	Pa×s	584.43	Calculated Property
η	0.0000971	Pa×s	616.70	Calculated Property
η	0.0000765	Pa×s	648.97	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isobutyl 3-methylbutyl ester.

Sources

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

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