Chemical Properties of Sebacic acid, 4-methoxy-2-methylbutyl octyl ester

InChI

InChI=1S/C24H46O5/c1-4-5-6-7-12-15-19-28-23(25)16-13-10-8-9-11-14-17-24(26)29-21-22(2)18-20-27-3/h22H,4-21H2,1-3H3

InChI Key

QGCQSLWRTYDDOI-UHFFFAOYSA-N

Formula

C24H46O5

SMILES

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

Molecular Weight¹

414.62

Other Names

• Sebacic acid, 4-methoxy-2-methylphenyl octyl ester

• 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	[562.38; 1292.77]	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			5.57080e+01
Coefficient B			2.11696e+00
Coefficient C			-9.84800e-04
Coefficient D			1.04900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	562.38	J/mol×K	273.00	Calculated Property
Cp,gas	686.03	J/mol×K	353.78	Calculated Property
Cp,gas	798.28	J/mol×K	434.56	Calculated Property
Cp,gas	899.47	J/mol×K	515.33	Calculated Property
Cp,gas	989.92	J/mol×K	596.11	Calculated Property
Cp,gas	1069.97	J/mol×K	676.89	Calculated Property
Cp,gas	1139.95	J/mol×K	757.67	Calculated Property
Cp,gas	1200.19	J/mol×K	838.44	Calculated Property
Cp,gas	1251.02	J/mol×K	919.22	Calculated Property
Cp,gas	1292.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006877; 0.0000294]	Pa×s	[452.13; 761.08]	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			-1.50446e+01
Coefficient B			3.50963e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			452.13
Temperature range, max.			761.08
η	0.0006877	Pa×s	452.13	Calculated Property
η	0.0003976	Pa×s	486.46	Calculated Property
η	0.0002471	Pa×s	520.79	Calculated Property
η	0.0001629	Pa×s	555.11	Calculated Property
η	0.0001127	Pa×s	589.44	Calculated Property
η	0.0000812	Pa×s	623.77	Calculated Property
η	0.0000606	Pa×s	658.10	Calculated Property
η	0.0000465	Pa×s	692.43	Calculated Property
η	0.0000366	Pa×s	726.75	Calculated Property
η	0.0000294	Pa×s	761.08	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-methoxy-2-methylbutyl octyl ester.

Sources

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

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