Chemical Properties of di-(3-Methoxybutyl)adipate

InChI

InChI=1S/C16H30O6/c1-13(19-3)9-11-21-15(17)7-5-6-8-16(18)22-12-10-14(2)20-4/h13-14H,5-12H2,1-4H3

InChI Key

ATLKKGZUMZYLGA-UHFFFAOYSA-N

Formula

C16H30O6

SMILES

COC(C)CCOC(=O)CCCCC(=O)OCCC(C)OC

Molecular Weight¹

318.41

• 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	[407.76; 899.08]	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			8.67980e+01
Coefficient B			1.29968e+00
Coefficient C			-4.41800e-04
Coefficient D			-4.56000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	407.76	J/mol×K	273.00	Calculated Property
Cp,gas	489.28	J/mol×K	353.78	Calculated Property
Cp,gas	564.41	J/mol×K	434.56	Calculated Property
Cp,gas	633.00	J/mol×K	515.33	Calculated Property
Cp,gas	694.90	J/mol×K	596.11	Calculated Property
Cp,gas	749.97	J/mol×K	676.89	Calculated Property
Cp,gas	798.07	J/mol×K	757.67	Calculated Property
Cp,gas	839.05	J/mol×K	838.44	Calculated Property
Cp,gas	872.77	J/mol×K	919.22	Calculated Property
Cp,gas	899.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017682; 0.0000662]	Pa×s	[369.20; 632.01]	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			-1.42367e+01
Coefficient B			2.91626e+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.			369.20
Temperature range, max.			632.01
η	0.0017682	Pa×s	369.20	Calculated Property
η	0.0009911	Pa×s	398.40	Calculated Property
η	0.0006012	Pa×s	427.60	Calculated Property
η	0.0003887	Pa×s	456.80	Calculated Property
η	0.0002649	Pa×s	486.00	Calculated Property
η	0.0001885	Pa×s	515.20	Calculated Property
η	0.0001392	Pa×s	544.40	Calculated Property
η	0.0001059	Pa×s	573.60	Calculated Property
η	0.0000828	Pa×s	602.81	Calculated Property
η	0.0000662	Pa×s	632.01	Calculated Property

Similar Compounds

Find more compounds similar to di-(3-Methoxybutyl)adipate.

Sources

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

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