Chemical Properties of Glutaric acid, hexadecyl 3-methoxybenzyl ester

InChI

InChI=1S/C29H48O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-33-28(30)21-18-22-29(31)34-25-26-19-17-20-27(24-26)32-2/h17,19-20,24H,3-16,18,21-23,25H2,1-2H3

InChI Key

VIFXKTBPMZHAID-UHFFFAOYSA-N

Formula

C29H48O5

SMILES

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

Molecular Weight¹

476.69

• 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	[614.05; 1428.62]	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			3.32390e+01
Coefficient B			2.44764e+00
Coefficient C			-1.21776e-03
Coefficient D			1.65500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	614.05	J/mol×K	273.00	Calculated Property
Cp,gas	754.07	J/mol×K	353.78	Calculated Property
Cp,gas	880.50	J/mol×K	434.56	Calculated Property
Cp,gas	993.84	J/mol×K	515.33	Calculated Property
Cp,gas	1094.63	J/mol×K	596.11	Calculated Property
Cp,gas	1183.40	J/mol×K	676.89	Calculated Property
Cp,gas	1260.65	J/mol×K	757.67	Calculated Property
Cp,gas	1326.93	J/mol×K	838.44	Calculated Property
Cp,gas	1382.74	J/mol×K	919.22	Calculated Property
Cp,gas	1428.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001882; 0.0000142]	Pa×s	[562.42; 892.68]	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			-1.55561e+01
Coefficient B			3.92477e+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.			562.42
Temperature range, max.			892.68
η	0.0001882	Pa×s	562.42	Calculated Property
η	0.0001228	Pa×s	599.12	Calculated Property
η	0.0000841	Pa×s	635.81	Calculated Property
η	0.0000601	Pa×s	672.51	Calculated Property
η	0.0000444	Pa×s	709.20	Calculated Property
η	0.0000338	Pa×s	745.90	Calculated Property
η	0.0000264	Pa×s	782.59	Calculated Property
η	0.0000211	Pa×s	819.29	Calculated Property
η	0.0000172	Pa×s	855.99	Calculated Property
η	0.0000142	Pa×s	892.68	Calculated Property

Similar Compounds

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

Sources

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

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