Chemical Properties of Glutaric acid, 2,6-dimethoxyphenyl isohexyl ester

InChI

InChI=1S/C19H28O6/c1-14(2)8-7-13-24-17(20)11-6-12-18(21)25-19-15(22-3)9-5-10-16(19)23-4/h5,9-10,14H,6-8,11-13H2,1-4H3

InChI Key

OPYFHYHSDCSVON-UHFFFAOYSA-N

Formula

C19H28O6

SMILES

COc1cccc(OC)c1OC(=O)CCCC(=O)OCCCC(C)C

Molecular Weight¹

352.43

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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	[419.56; 928.71]	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			8.04460e+01
Coefficient B			1.38088e+00
Coefficient C			-4.98920e-04
Coefficient D			-3.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.56	J/mol×K	273.00	Calculated Property
Cp,gas	505.03	J/mol×K	353.78	Calculated Property
Cp,gas	583.53	J/mol×K	434.56	Calculated Property
Cp,gas	654.95	J/mol×K	515.33	Calculated Property
Cp,gas	719.17	J/mol×K	596.11	Calculated Property
Cp,gas	776.10	J/mol×K	676.89	Calculated Property
Cp,gas	825.63	J/mol×K	757.67	Calculated Property
Cp,gas	867.64	J/mol×K	838.44	Calculated Property
Cp,gas	902.03	J/mol×K	919.22	Calculated Property
Cp,gas	928.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004490; 0.0000450]	Pa×s	[469.47; 721.51]	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			-1.42942e+01
Coefficient B			3.09182e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			469.47
Temperature range, max.			721.51
η	0.0004490	Pa×s	469.47	Calculated Property
η	0.0003099	Pa×s	497.47	Calculated Property
η	0.0002226	Pa×s	525.48	Calculated Property
η	0.0001653	Pa×s	553.48	Calculated Property
η	0.0001263	Pa×s	581.49	Calculated Property
η	0.0000989	Pa×s	609.49	Calculated Property
η	0.0000791	Pa×s	637.49	Calculated Property
η	0.0000645	Pa×s	665.50	Calculated Property
η	0.0000535	Pa×s	693.50	Calculated Property
η	0.0000450	Pa×s	721.51	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,6-dimethoxyphenyl isohexyl 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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