Chemical Properties of 2-Benzyloxyphenylacetic acid (CAS 22047-88-7)

InChI

InChI=1S/C15H14O3/c16-15(17)10-13-8-4-5-9-14(13)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)

InChI Key

VFYKRBZHJFJOGQ-UHFFFAOYSA-N

Formula

C15H14O3

SMILES

O=C(O)Cc1ccccc1OCc1ccccc1

Molecular Weight¹

242.27

CAS

22047-88-7

Other Names

• O-Benzyloxyphenylacetic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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	[240.75; 582.38]	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			-3.41580e+01
Coefficient B			1.19910e+00
Coefficient C			-7.49160e-04
Coefficient D			1.66600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.75	J/mol×K	273.00	Calculated Property
Cp,gas	303.67	J/mol×K	353.78	Calculated Property
Cp,gas	359.12	J/mol×K	434.56	Calculated Property
Cp,gas	407.63	J/mol×K	515.33	Calculated Property
Cp,gas	449.72	J/mol×K	596.11	Calculated Property
Cp,gas	485.92	J/mol×K	676.89	Calculated Property
Cp,gas	516.76	J/mol×K	757.67	Calculated Property
Cp,gas	542.77	J/mol×K	838.44	Calculated Property
Cp,gas	564.46	J/mol×K	919.22	Calculated Property
Cp,gas	582.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038790; 0.0001324]	Pa×s	[370.15; 705.63]	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			-1.26559e+01
Coefficient B			2.62945e+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.			370.15
Temperature range, max.			705.63
η	0.0038790	Pa×s	370.15	Calculated Property
η	0.0020252	Pa×s	407.43	Calculated Property
η	0.0011790	Pa×s	444.70	Calculated Property
η	0.0007463	Pa×s	481.98	Calculated Property
η	0.0005045	Pa×s	519.25	Calculated Property
η	0.0003594	Pa×s	556.53	Calculated Property
η	0.0002671	Pa×s	593.80	Calculated Property
η	0.0002057	Pa×s	631.08	Calculated Property
η	0.0001630	Pa×s	668.35	Calculated Property
η	0.0001324	Pa×s	705.63	Calculated Property

Similar Compounds

Find more compounds similar to 2-Benzyloxyphenylacetic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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