Chemical Properties of Sebacic acid, di(4-methoxy-2-methylpbutyl) ester

InChI

InChI=1S/C22H42O6/c1-19(13-15-25-3)17-27-21(23)11-9-7-5-6-8-10-12-22(24)28-18-20(2)14-16-26-4/h19-20H,5-18H2,1-4H3

InChI Key

AEDKNRPYRNCPLZ-UHFFFAOYSA-N

Formula

C22H42O6

SMILES

COCCC(C)COC(=O)CCCCCCCCC(=O)OCC(C)CCOC

Molecular Weight¹

402.57

Other Names

• Sebacic acid, di(4-methoxy-2-methylphenyl) 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	[535.04; 1208.62]	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			8.13440e+01
Coefficient B			1.86968e+00
Coefficient C			-7.68200e-04
Coefficient D			2.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	535.04	J/mol×K	273.00	Calculated Property
Cp,gas	647.79	J/mol×K	353.78	Calculated Property
Cp,gas	750.88	J/mol×K	434.56	Calculated Property
Cp,gas	844.37	J/mol×K	515.33	Calculated Property
Cp,gas	928.37	J/mol×K	596.11	Calculated Property
Cp,gas	1002.94	J/mol×K	676.89	Calculated Property
Cp,gas	1068.17	J/mol×K	757.67	Calculated Property
Cp,gas	1124.14	J/mol×K	838.44	Calculated Property
Cp,gas	1170.93	J/mol×K	919.22	Calculated Property
Cp,gas	1208.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007269; 0.0000278]	Pa×s	[436.82; 739.90]	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			-1.51961e+01
Coefficient B			3.48122e+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.			436.82
Temperature range, max.			739.90
η	0.0007269	Pa×s	436.82	Calculated Property
η	0.0004109	Pa×s	470.50	Calculated Property
η	0.0002507	Pa×s	504.17	Calculated Property
η	0.0001627	Pa×s	537.85	Calculated Property
η	0.0001111	Pa×s	571.52	Calculated Property
η	0.0000792	Pa×s	605.20	Calculated Property
η	0.0000585	Pa×s	638.87	Calculated Property
η	0.0000445	Pa×s	672.55	Calculated Property
η	0.0000348	Pa×s	706.22	Calculated Property
η	0.0000278	Pa×s	739.90	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(4-methoxy-2-methylpbutyl) ester.

Sources

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

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