Chemical Properties of Phthalic acid, hexadecyl 3-methoxybenzyl ester

InChI

InChI=1S/C32H46O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-36-31(33)29-22-16-17-23-30(29)32(34)37-26-27-20-19-21-28(25-27)35-2/h16-17,19-23,25H,3-15,18,24,26H2,1-2H3

InChI Key

LQIJQAIFTQHRPS-UHFFFAOYSA-N

Formula

C32H46O5

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cccc(OC)c1

Molecular Weight¹

510.71

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[622.99; 1461.83]	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			1.09060e+01
Coefficient B			2.59424e+00
Coefficient C			-1.34512e-03
Coefficient D			2.01800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	622.99	J/mol×K	273.00	Calculated Property
Cp,gas	769.27	J/mol×K	353.78	Calculated Property
Cp,gas	900.80	J/mol×K	434.56	Calculated Property
Cp,gas	1018.20	J/mol×K	515.33	Calculated Property
Cp,gas	1122.12	J/mol×K	596.11	Calculated Property
Cp,gas	1213.20	J/mol×K	676.89	Calculated Property
Cp,gas	1292.07	J/mol×K	757.67	Calculated Property
Cp,gas	1359.37	J/mol×K	838.44	Calculated Property
Cp,gas	1415.74	J/mol×K	919.22	Calculated Property
Cp,gas	1461.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000934; 0.0000092]	Pa×s	[635.17; 980.23]	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			-1.58742e+01
Coefficient B			4.18941e+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.			635.17
Temperature range, max.			980.23
η	0.0000934	Pa×s	635.17	Calculated Property
η	0.0000642	Pa×s	673.51	Calculated Property
η	0.0000459	Pa×s	711.85	Calculated Property
η	0.0000340	Pa×s	750.19	Calculated Property
η	0.0000259	Pa×s	788.53	Calculated Property
η	0.0000202	Pa×s	826.87	Calculated Property
η	0.0000162	Pa×s	865.21	Calculated Property
η	0.0000132	Pa×s	903.55	Calculated Property
η	0.0000109	Pa×s	941.89	Calculated Property
η	0.0000092	Pa×s	980.23	Calculated Property

Similar Compounds

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

Sources

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

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