Chemical Properties of Phthalic acid, hexadecyl methyl ester

InChI

InChI=1S/C25H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-25(27)23-20-17-16-19-22(23)24(26)28-2/h16-17,19-20H,3-15,18,21H2,1-2H3

InChI Key

CPCNZWLOGJACQU-UHFFFAOYSA-N

Formula

C25H40O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC

Molecular Weight¹

404.59

Other Names

• 1,2-Benzenedicarboxylic acid, hexadecyl methyl ester

• 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	[513.79; 1203.76]	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			1.13750e+01
Coefficient B			2.13084e+00
Coefficient C			-1.11116e-03
Coefficient D			1.72700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	513.79	J/mol×K	273.00	Calculated Property
Cp,gas	633.79	J/mol×K	353.78	Calculated Property
Cp,gas	741.69	J/mol×K	434.56	Calculated Property
Cp,gas	838.01	J/mol×K	515.33	Calculated Property
Cp,gas	923.33	J/mol×K	596.11	Calculated Property
Cp,gas	998.17	J/mol×K	676.89	Calculated Property
Cp,gas	1063.09	J/mol×K	757.67	Calculated Property
Cp,gas	1118.62	J/mol×K	838.44	Calculated Property
Cp,gas	1165.33	J/mol×K	919.22	Calculated Property
Cp,gas	1203.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004913; 0.0000375]	Pa×s	[495.11; 788.35]	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			-1.45381e+01
Coefficient B			3.42604e+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.			495.11
Temperature range, max.			788.35
η	0.0004913	Pa×s	495.11	Calculated Property
η	0.0003205	Pa×s	527.69	Calculated Property
η	0.0002197	Pa×s	560.27	Calculated Property
η	0.0001570	Pa×s	592.86	Calculated Property
η	0.0001162	Pa×s	625.44	Calculated Property
η	0.0000886	Pa×s	658.02	Calculated Property
η	0.0000693	Pa×s	690.60	Calculated Property
η	0.0000554	Pa×s	723.18	Calculated Property
η	0.0000452	Pa×s	755.77	Calculated Property
η	0.0000375	Pa×s	788.35	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, hexadecyl methyl ester.

Sources

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

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