Chemical Properties of Sebacic acid, di(3-methylbutyl) ester

InChI

InChI=1S/C20H38O4/c1-17(2)13-15-23-19(21)11-9-7-5-6-8-10-12-20(22)24-16-14-18(3)4/h17-18H,5-16H2,1-4H3

InChI Key

AZTORLUDPYUCLK-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

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

Molecular Weight¹

342.51

• 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	[461.80; 1068.44]	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			3.21620e+01
Coefficient B			1.80608e+00
Coefficient C			-8.81400e-04
Coefficient D			1.11600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	461.80	J/mol×K	273.00	Calculated Property
Cp,gas	565.74	J/mol×K	353.78	Calculated Property
Cp,gas	659.72	J/mol×K	434.56	Calculated Property
Cp,gas	744.10	J/mol×K	515.33	Calculated Property
Cp,gas	819.22	J/mol×K	596.11	Calculated Property
Cp,gas	885.45	J/mol×K	676.89	Calculated Property
Cp,gas	943.13	J/mol×K	757.67	Calculated Property
Cp,gas	992.62	J/mol×K	838.44	Calculated Property
Cp,gas	1034.28	J/mol×K	919.22	Calculated Property
Cp,gas	1068.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026218; 0.0000669]	Pa×s	[369.82; 666.28]	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			-1.41877e+01
Coefficient B			3.04872e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			369.82
Temperature range, max.			666.28
η	0.0026218	Pa×s	369.82	Calculated Property
η	0.0013360	Pa×s	402.76	Calculated Property
η	0.0007538	Pa×s	435.70	Calculated Property
η	0.0004609	Pa×s	468.64	Calculated Property
η	0.0003007	Pa×s	501.58	Calculated Property
η	0.0002067	Pa×s	534.52	Calculated Property
η	0.0001485	Pa×s	567.46	Calculated Property
η	0.0001106	Pa×s	600.40	Calculated Property
η	0.0000849	Pa×s	633.34	Calculated Property
η	0.0000669	Pa×s	666.28	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(3-methylbutyl) ester.

Sources

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

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