Chemical Properties of di-(2-Methoxybutyl)sebacate

InChI

InChI=1S/C20H38O6/c1-5-17(23-3)15-25-19(21)13-11-9-7-8-10-12-14-20(22)26-16-18(6-2)24-4/h17-18H,5-16H2,1-4H3

InChI Key

BBVBWBRDMYGPAP-UHFFFAOYSA-N

Formula

C20H38O6

SMILES

CCC(COC(=O)CCCCCCCCC(=O)OCC(CC)OC)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	[492.61; 1105.44]	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			8.31620e+01
Coefficient B			1.67968e+00
Coefficient C			-6.59400e-04
Coefficient D			2.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	492.61	J/mol×K	273.00	Calculated Property
Cp,gas	594.95	J/mol×K	353.78	Calculated Property
Cp,gas	688.72	J/mol×K	434.56	Calculated Property
Cp,gas	773.91	J/mol×K	515.33	Calculated Property
Cp,gas	850.54	J/mol×K	596.11	Calculated Property
Cp,gas	918.62	J/mol×K	676.89	Calculated Property
Cp,gas	978.14	J/mol×K	757.67	Calculated Property
Cp,gas	1029.11	J/mol×K	838.44	Calculated Property
Cp,gas	1071.54	J/mol×K	919.22	Calculated Property
Cp,gas	1105.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009860; 0.0000380]	Pa×s	[414.28; 701.84]	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			-1.48704e+01
Coefficient B			3.29290e+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.			414.28
Temperature range, max.			701.84
η	0.0009860	Pa×s	414.28	Calculated Property
η	0.0005581	Pa×s	446.23	Calculated Property
η	0.0003409	Pa×s	478.18	Calculated Property
η	0.0002214	Pa×s	510.13	Calculated Property
η	0.0001514	Pa×s	542.08	Calculated Property
η	0.0001079	Pa×s	574.03	Calculated Property
η	0.0000798	Pa×s	605.99	Calculated Property
η	0.0000608	Pa×s	637.94	Calculated Property
η	0.0000475	Pa×s	669.89	Calculated Property
η	0.0000380	Pa×s	701.84	Calculated Property

Similar Compounds

Find more compounds similar to di-(2-Methoxybutyl)sebacate.

Sources

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

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