Chemical Properties of di-(3-Methoxybutyl)glutarate

InChI

InChI=1S/C15H28O6/c1-12(18-3)8-10-20-14(16)6-5-7-15(17)21-11-9-13(2)19-4/h12-13H,5-11H2,1-4H3

InChI Key

NMLOQANBHLGBTR-UHFFFAOYSA-N

Formula

C15H28O6

SMILES

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

Molecular Weight¹

304.38

• 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	[386.54; 847.49]	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			8.77070e+01
Coefficient B			1.20468e+00
Coefficient C			-3.87400e-04
Coefficient D			-5.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.54	J/mol×K	273.00	Calculated Property
Cp,gas	462.86	J/mol×K	353.78	Calculated Property
Cp,gas	533.33	J/mol×K	434.56	Calculated Property
Cp,gas	597.77	J/mol×K	515.33	Calculated Property
Cp,gas	655.99	J/mol×K	596.11	Calculated Property
Cp,gas	707.81	J/mol×K	676.89	Calculated Property
Cp,gas	753.05	J/mol×K	757.67	Calculated Property
Cp,gas	791.53	J/mol×K	838.44	Calculated Property
Cp,gas	823.07	J/mol×K	919.22	Calculated Property
Cp,gas	847.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020331; 0.0000750]	Pa×s	[357.93; 615.61]	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			-1.40827e+01
Coefficient B			2.82210e+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.			357.93
Temperature range, max.			615.61
η	0.0020331	Pa×s	357.93	Calculated Property
η	0.0011338	Pa×s	386.56	Calculated Property
η	0.0006853	Pa×s	415.19	Calculated Property
η	0.0004420	Pa×s	443.82	Calculated Property
η	0.0003007	Pa×s	472.46	Calculated Property
η	0.0002137	Pa×s	501.09	Calculated Property
η	0.0001576	Pa×s	529.72	Calculated Property
η	0.0001200	Pa×s	558.35	Calculated Property
η	0.0000937	Pa×s	586.98	Calculated Property
η	0.0000750	Pa×s	615.61	Calculated Property

Similar Compounds

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

Sources

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

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