Chemical Properties of Sebacic acid, neopentyl octyl ester

InChI

InChI=1S/C23H44O4/c1-5-6-7-8-13-16-19-26-21(24)17-14-11-9-10-12-15-18-22(25)27-20-23(2,3)4/h5-20H2,1-4H3

InChI Key

BSBMRPYJWKAQQH-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(C)(C)C

Molecular Weight¹

384.59

• 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	[524.61; 1223.61]	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			8.32600e+00
Coefficient B			2.20508e+00
Coefficient C			-1.21000e-03
Coefficient D			2.20200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	524.61	J/mol×K	273.00	Calculated Property
Cp,gas	646.74	J/mol×K	353.78	Calculated Property
Cp,gas	756.13	J/mol×K	434.56	Calculated Property
Cp,gas	853.48	J/mol×K	515.33	Calculated Property
Cp,gas	939.47	J/mol×K	596.11	Calculated Property
Cp,gas	1014.82	J/mol×K	676.89	Calculated Property
Cp,gas	1080.21	J/mol×K	757.67	Calculated Property
Cp,gas	1136.34	J/mol×K	838.44	Calculated Property
Cp,gas	1183.90	J/mol×K	919.22	Calculated Property
Cp,gas	1223.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009907; 0.0000421]	Pa×s	[436.05; 719.44]	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			-1.49348e+01
Coefficient B			3.49610e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			436.05
Temperature range, max.			719.44
η	0.0009907	Pa×s	436.05	Calculated Property
η	0.0005773	Pa×s	467.54	Calculated Property
η	0.0003602	Pa×s	499.03	Calculated Property
η	0.0002376	Pa×s	530.51	Calculated Property
η	0.0001643	Pa×s	562.00	Calculated Property
η	0.0001181	Pa×s	593.49	Calculated Property
η	0.0000878	Pa×s	624.98	Calculated Property
η	0.0000671	Pa×s	656.47	Calculated Property
η	0.0000526	Pa×s	687.96	Calculated Property
η	0.0000421	Pa×s	719.44	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, neopentyl octyl ester.

Sources

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

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