Chemical Properties of PENTADECYL 4-METHOXYBENZOATE

InChI

InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-23(24)21-16-18-22(25-2)19-17-21/h16-19H,3-15,20H2,1-2H3

InChI Key

SBIJFQKFVBDDDU-UHFFFAOYSA-N

Formula

C23H38O3

SMILES

CCCCCCCCCCCCCCCOC(=O)c1ccc(OC)cc1

Molecular Weight¹

362.55

Other Names

• p-Methoxybenzoic acid, pentadecyl 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	[470.43; 1110.96]	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			1.32840e+01
Coefficient B			1.93244e+00
Coefficient C			-9.85960e-04
Coefficient D			1.51200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	470.43	J/mol×K	273.00	Calculated Property
Cp,gas	580.23	J/mol×K	353.78	Calculated Property
Cp,gas	679.26	J/mol×K	434.56	Calculated Property
Cp,gas	767.99	J/mol×K	515.33	Calculated Property
Cp,gas	846.90	J/mol×K	596.11	Calculated Property
Cp,gas	916.48	J/mol×K	676.89	Calculated Property
Cp,gas	977.19	J/mol×K	757.67	Calculated Property
Cp,gas	1029.53	J/mol×K	838.44	Calculated Property
Cp,gas	1073.96	J/mol×K	919.22	Calculated Property
Cp,gas	1110.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006724; 0.0000581]	Pa×s	[452.47; 721.84]	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			-1.38688e+01
Coefficient B			2.97009e+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.			452.47
Temperature range, max.			721.84
η	0.0006724	Pa×s	452.47	Calculated Property
η	0.0004475	Pa×s	482.40	Calculated Property
η	0.0003123	Pa×s	512.33	Calculated Property
η	0.0002268	Pa×s	542.26	Calculated Property
η	0.0001703	Pa×s	572.19	Calculated Property
η	0.0001316	Pa×s	602.12	Calculated Property
η	0.0001042	Pa×s	632.05	Calculated Property
η	0.0000842	Pa×s	661.98	Calculated Property
η	0.0000694	Pa×s	691.91	Calculated Property
η	0.0000581	Pa×s	721.84	Calculated Property

Similar Compounds

Find more compounds similar to PENTADECYL 4-METHOXYBENZOATE.

Sources

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

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