Chemical Properties of 4-Benzyloxyphenylacetic acid

InChI

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

InChI Key

XJHGAJLIKDAOPE-UHFFFAOYSA-N

Formula

C15H14O3

SMILES

O=C(O)Cc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

242.27

Other Names

• 4-(Phenylmethoxy)benzeneacetic acid
• Benzeneacetic acid, 4-(phenylmethoxy)-

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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, 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.

Temperature Dependent Properties

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	[0.0005701; 0.0001324]	Pa×s	[507.00; 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.			507.00
Temperature range, max.			705.63
η	0.0005701	Pa×s	507.00	Calculated Property
η	0.0004592	Pa×s	529.07	Calculated Property
η	0.0003763	Pa×s	551.14	Calculated Property
η	0.0003132	Pa×s	573.21	Calculated Property
η	0.0002642	Pa×s	595.28	Calculated Property
η	0.0002256	Pa×s	617.35	Calculated Property
η	0.0001948	Pa×s	639.42	Calculated Property
η	0.0001698	Pa×s	661.49	Calculated Property
η	0.0001493	Pa×s	683.56	Calculated Property
η	0.0001324	Pa×s	705.63	Calculated Property

Similar Compounds

Find more compounds similar to 4-Benzyloxyphenylacetic acid.

Sources

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

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