Chemical Properties of Glutaric acid, 2-methylpent-3-yl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C19H28O6/c1-6-14(13(2)3)24-17(20)11-8-12-18(21)25-19-15(22-4)9-7-10-16(19)23-5/h7,9-10,13-14H,6,8,11-12H2,1-5H3

InChI Key

SVDRNYGDYQQHQM-UHFFFAOYSA-N

Formula

C19H28O6

SMILES

CCC(OC(=O)CCCC(=O)Oc1c(OC)cccc1OC)C(C)C

Molecular Weight¹

352.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[419.24; 929.24]	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			7.87640e+01
Coefficient B			1.38680e+00
Coefficient C			-5.02120e-04
Coefficient D			-3.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.24	J/mol×K	273.00	Calculated Property
Cp,gas	505.02	J/mol×K	353.78	Calculated Property
Cp,gas	583.78	J/mol×K	434.56	Calculated Property
Cp,gas	655.40	J/mol×K	515.33	Calculated Property
Cp,gas	719.78	J/mol×K	596.11	Calculated Property
Cp,gas	776.81	J/mol×K	676.89	Calculated Property
Cp,gas	826.37	J/mol×K	757.67	Calculated Property
Cp,gas	868.38	J/mol×K	838.44	Calculated Property
Cp,gas	902.70	J/mol×K	919.22	Calculated Property
Cp,gas	929.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005304; 0.0000412]	Pa×s	[454.47; 722.47]	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			-1.44282e+01
Coefficient B			3.12964e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			454.47
Temperature range, max.			722.47
η	0.0005304	Pa×s	454.47	Calculated Property
η	0.0003473	Pa×s	484.25	Calculated Property
η	0.0002389	Pa×s	514.02	Calculated Property
η	0.0001711	Pa×s	543.80	Calculated Property
η	0.0001269	Pa×s	573.58	Calculated Property
η	0.0000970	Pa×s	603.36	Calculated Property
η	0.0000760	Pa×s	633.13	Calculated Property
η	0.0000608	Pa×s	662.91	Calculated Property
η	0.0000497	Pa×s	692.69	Calculated Property
η	0.0000412	Pa×s	722.47	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 2,6-dimethoxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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