Chemical Properties of di-(1-Methyl-2-methoxybutyl)sebacate

InChI

InChI=1S/C20H38O6/c1-15(23-5)17(3)25-19(21)13-11-9-7-8-10-12-14-20(22)26-18(4)16(2)24-6/h15-18H,7-14H2,1-6H3

InChI Key

NCGXKOTZQIIEHO-UHFFFAOYSA-N

Formula

C20H38O6

SMILES

COC(C)C(C)OC(=O)CCCCCCCCC(=O)OC(C)C(C)OC

Molecular Weight¹

374.51

• 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	[491.98; 1106.52]	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			7.97980e+01
Coefficient B			1.69152e+00
Coefficient C			-6.65800e-04
Coefficient D			1.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	491.98	J/mol×K	273.00	Calculated Property
Cp,gas	594.93	J/mol×K	353.78	Calculated Property
Cp,gas	689.21	J/mol×K	434.56	Calculated Property
Cp,gas	774.82	J/mol×K	515.33	Calculated Property
Cp,gas	851.75	J/mol×K	596.11	Calculated Property
Cp,gas	920.02	J/mol×K	676.89	Calculated Property
Cp,gas	979.63	J/mol×K	757.67	Calculated Property
Cp,gas	1030.58	J/mol×K	838.44	Calculated Property
Cp,gas	1072.88	J/mol×K	919.22	Calculated Property
Cp,gas	1106.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017079; 0.0000323]	Pa×s	[384.28; 702.19]	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			-1.51384e+01
Coefficient B			3.36854e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			384.28
Temperature range, max.			702.19
η	0.0017079	Pa×s	384.28	Calculated Property
η	0.0008165	Pa×s	419.60	Calculated Property
η	0.0004378	Pa×s	454.93	Calculated Property
η	0.0002568	Pa×s	490.25	Calculated Property
η	0.0001618	Pa×s	525.57	Calculated Property
η	0.0001081	Pa×s	560.90	Calculated Property
η	0.0000757	Pa×s	596.22	Calculated Property
η	0.0000552	Pa×s	631.54	Calculated Property
η	0.0000416	Pa×s	666.87	Calculated Property
η	0.0000323	Pa×s	702.19	Calculated Property

Similar Compounds

Find more compounds similar to di-(1-Methyl-2-methoxybutyl)sebacate.

Sources

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

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