Chemical Properties of Glutaric acid, 3-methoxybenzyl tetradecyl ester

InChI

InChI=1S/C27H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-31-26(28)19-16-20-27(29)32-23-24-17-15-18-25(22-24)30-2/h15,17-18,22H,3-14,16,19-21,23H2,1-2H3

InChI Key

ZYYFBMQCKDMQLI-UHFFFAOYSA-N

Formula

C27H44O5

SMILES

CCCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1cccc(OC)c1

Molecular Weight¹

448.64

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[571.63; 1325.44]	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			3.50570e+01
Coefficient B			2.25764e+00
Coefficient C			-1.10896e-03
Coefficient D			1.41700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	571.63	J/mol×K	273.00	Calculated Property
Cp,gas	701.24	J/mol×K	353.78	Calculated Property
Cp,gas	818.34	J/mol×K	434.56	Calculated Property
Cp,gas	923.38	J/mol×K	515.33	Calculated Property
Cp,gas	1016.81	J/mol×K	596.11	Calculated Property
Cp,gas	1099.07	J/mol×K	676.89	Calculated Property
Cp,gas	1170.62	J/mol×K	757.67	Calculated Property
Cp,gas	1231.90	J/mol×K	838.44	Calculated Property
Cp,gas	1283.35	J/mol×K	919.22	Calculated Property
Cp,gas	1325.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002490; 0.0000201]	Pa×s	[539.88; 848.39]	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			-1.52188e+01
Coefficient B			3.73645e+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.			539.88
Temperature range, max.			848.39
η	0.0002490	Pa×s	539.88	Calculated Property
η	0.0001648	Pa×s	574.16	Calculated Property
η	0.0001142	Pa×s	608.44	Calculated Property
η	0.0000823	Pa×s	642.72	Calculated Property
η	0.0000613	Pa×s	677.00	Calculated Property
η	0.0000470	Pa×s	711.27	Calculated Property
η	0.0000369	Pa×s	745.55	Calculated Property
η	0.0000296	Pa×s	779.83	Calculated Property
η	0.0000242	Pa×s	814.11	Calculated Property
η	0.0000201	Pa×s	848.39	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methoxybenzyl tetradecyl ester.

Sources

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

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