Chemical Properties of p-HEXADECYLOXYBENZOIC ACID

InChI

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

InChI Key

GAQCVRTXIAGNEM-UHFFFAOYSA-N

Formula

C23H38O3

SMILES

CCCCCCCCCCCCCCCCOc1ccc(C(=O)O)cc1

Molecular Weight¹

362.55

Other Names

• Benzoic acid, 4-(hexadecyloxy)-

• 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).
• 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	[467.72; 1113.63]	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			-7.52500e+00
Coefficient B			2.03802e+00
Coefficient C			-1.15316e-03
Coefficient D			2.36300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	467.72	J/mol×K	273.00	Calculated Property
Cp,gas	579.62	J/mol×K	353.78	Calculated Property
Cp,gas	679.74	J/mol×K	434.56	Calculated Property
Cp,gas	768.83	J/mol×K	515.33	Calculated Property
Cp,gas	847.64	J/mol×K	596.11	Calculated Property
Cp,gas	916.92	J/mol×K	676.89	Calculated Property
Cp,gas	977.41	J/mol×K	757.67	Calculated Property
Cp,gas	1029.86	J/mol×K	838.44	Calculated Property
Cp,gas	1075.02	J/mol×K	919.22	Calculated Property
Cp,gas	1113.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065432; 0.0000588]	Pa×s	[375.00; 793.83]	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			-1.39608e+01
Coefficient B			3.34931e+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.			375.00
Temperature range, max.			793.83
η	0.0065432	Pa×s	375.00	Calculated Property
η	0.0024410	Pa×s	421.54	Calculated Property
η	0.0011079	Pa×s	468.07	Calculated Property
η	0.0005801	Pa×s	514.61	Calculated Property
η	0.0003381	Pa×s	561.15	Calculated Property
η	0.0002141	Pa×s	607.68	Calculated Property
η	0.0001446	Pa×s	654.22	Calculated Property
η	0.0001030	Pa×s	700.76	Calculated Property
η	0.0000764	Pa×s	747.29	Calculated Property
η	0.0000588	Pa×s	793.83	Calculated Property

Similar Compounds

Find more compounds similar to p-HEXADECYLOXYBENZOIC ACID.

Sources

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

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