Chemical Properties of 2-(Phenoxymethyl)benzoic acid (CAS 724-98-1)

InChI

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

InChI Key

YKNORODREYVARM-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

O=C(O)c1ccccc1COc1ccccc1

Molecular Weight¹

228.24

CAS

724-98-1

Other Names

• Benzoic acid, 2-(phenoxymethyl)-
• o-(phenoxymethyl)benzoic acid

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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 2-(Phenoxymethyl)benzoic acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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