Chemical Properties of 4-Benzyloxybenzoic acid (CAS 1486-51-7)

InChI

InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)

InChI Key

AQSCHALQLXXKKC-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

O=C(O)c1ccc(OCc2ccccc2)cc1

Molecular Weight¹

228.24

CAS

1486-51-7

Other Names

• Benzoic acid, 4-(phenylmethoxy)-
• p-(benzyloxy)benzoic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.54; 530.79]	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			-3.32490e+01
Coefficient B			1.10410e+00
Coefficient C			-6.94760e-04
Coefficient D			1.54700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.54	J/mol×K	273.00	Calculated Property
Cp,gas	277.25	J/mol×K	353.78	Calculated Property
Cp,gas	328.04	J/mol×K	434.56	Calculated Property
Cp,gas	372.40	J/mol×K	515.33	Calculated Property
Cp,gas	410.81	J/mol×K	596.11	Calculated Property
Cp,gas	443.76	J/mol×K	676.89	Calculated Property
Cp,gas	471.74	J/mol×K	757.67	Calculated Property
Cp,gas	495.25	J/mol×K	838.44	Calculated Property
Cp,gas	514.77	J/mol×K	919.22	Calculated Property
Cp,gas	530.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006098; 0.0001423]	Pa×s	[495.73; 692.93]	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			-1.25166e+01
Coefficient B			2.53529e+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.			495.73
Temperature range, max.			692.93
η	0.0006098	Pa×s	495.73	Calculated Property
η	0.0004911	Pa×s	517.64	Calculated Property
η	0.0004026	Pa×s	539.55	Calculated Property
η	0.0003351	Pa×s	561.46	Calculated Property
η	0.0002828	Pa×s	583.37	Calculated Property
η	0.0002417	Pa×s	605.28	Calculated Property
η	0.0002088	Pa×s	627.20	Calculated Property
η	0.0001821	Pa×s	649.11	Calculated Property
η	0.0001603	Pa×s	671.02	Calculated Property
η	0.0001423	Pa×s	692.93	Calculated Property

Similar Compounds

Find more compounds similar to 4-Benzyloxybenzoic acid.

Sources

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

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