Chemical Properties of Sebacic acid, hexyl 4-methoxybenzyl ester

InChI

InChI=1S/C24H38O5/c1-3-4-5-12-19-28-23(25)13-10-8-6-7-9-11-14-24(26)29-20-21-15-17-22(27-2)18-16-21/h15-18H,3-14,19-20H2,1-2H3

InChI Key

MTHPBINMLLLNQA-UHFFFAOYSA-N

Formula

C24H38O5

SMILES

CCCCCCOC(=O)CCCCCCCCC(=O)OCc1ccc(OC)cc1

Molecular Weight¹

406.56

• 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	[507.98; 1170.66]	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			3.77840e+01
Coefficient B			1.97264e+00
Coefficient C			-9.45760e-04
Coefficient D			1.06000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	507.98	J/mol×K	273.00	Calculated Property
Cp,gas	621.98	J/mol×K	353.78	Calculated Property
Cp,gas	725.11	J/mol×K	434.56	Calculated Property
Cp,gas	817.69	J/mol×K	515.33	Calculated Property
Cp,gas	900.08	J/mol×K	596.11	Calculated Property
Cp,gas	972.59	J/mol×K	676.89	Calculated Property
Cp,gas	1035.57	J/mol×K	757.67	Calculated Property
Cp,gas	1089.35	J/mol×K	838.44	Calculated Property
Cp,gas	1134.27	J/mol×K	919.22	Calculated Property
Cp,gas	1170.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003725; 0.0000324]	Pa×s	[506.07; 788.01]	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			-1.47203e+01
Coefficient B			3.45397e+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.			506.07
Temperature range, max.			788.01
η	0.0003725	Pa×s	506.07	Calculated Property
η	0.0002503	Pa×s	537.40	Calculated Property
η	0.0001756	Pa×s	568.72	Calculated Property
η	0.0001279	Pa×s	600.05	Calculated Property
η	0.0000961	Pa×s	631.38	Calculated Property
η	0.0000742	Pa×s	662.70	Calculated Property
η	0.0000587	Pa×s	694.03	Calculated Property
η	0.0000473	Pa×s	725.36	Calculated Property
η	0.0000389	Pa×s	756.68	Calculated Property
η	0.0000324	Pa×s	788.01	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, hexyl 4-methoxybenzyl ester.

Sources

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

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