Chemical Properties of Glutaric acid, isobutyl 5-methoxy-3-methylpent-2-yl ester

InChI

InChI=1S/C16H30O5/c1-12(2)11-20-15(17)7-6-8-16(18)21-14(4)13(3)9-10-19-5/h12-14H,6-11H2,1-5H3

InChI Key

ZURSDWSLCIXXBH-UHFFFAOYSA-N

Formula

C16H30O5

SMILES

COCCC(C)C(C)OC(=O)CCCC(=O)OCC(C)C

Molecular Weight¹

302.41

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[392.04; 881.12]	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			5.96160e+01
Coefficient B			1.36880e+00
Coefficient C			-5.56000e-04
Coefficient D			8.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	392.04	J/mol×K	273.00	Calculated Property
Cp,gas	474.66	J/mol×K	353.78	Calculated Property
Cp,gas	550.16	J/mol×K	434.56	Calculated Property
Cp,gas	618.54	J/mol×K	515.33	Calculated Property
Cp,gas	679.84	J/mol×K	596.11	Calculated Property
Cp,gas	734.09	J/mol×K	676.89	Calculated Property
Cp,gas	781.32	J/mol×K	757.67	Calculated Property
Cp,gas	821.54	J/mol×K	838.44	Calculated Property
Cp,gas	854.80	J/mol×K	919.22	Calculated Property
Cp,gas	881.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040650; 0.0000792]	Pa×s	[331.97; 616.70]	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			-1.40362e+01
Coefficient B			2.83199e+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.			331.97
Temperature range, max.			616.70
η	0.0040650	Pa×s	331.97	Calculated Property
η	0.0019351	Pa×s	363.61	Calculated Property
η	0.0010374	Pa×s	395.24	Calculated Property
η	0.0006100	Pa×s	426.88	Calculated Property
η	0.0003859	Pa×s	458.52	Calculated Property
η	0.0002591	Pa×s	490.16	Calculated Property
η	0.0001825	Pa×s	521.79	Calculated Property
η	0.0001338	Pa×s	553.43	Calculated Property
η	0.0001015	Pa×s	585.07	Calculated Property
η	0.0000792	Pa×s	616.70	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl 5-methoxy-3-methylpent-2-yl ester.

Sources

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

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