Chemical Properties of 3-Chlorobenzoic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C20H15ClO3/c21-17-8-4-7-16(13-17)20(22)24-19-11-9-18(10-12-19)23-14-15-5-2-1-3-6-15/h1-13H,14H2

InChI Key

OXDQIRUYOFHTSN-UHFFFAOYSA-N

Formula

C20H15ClO3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1

Molecular Weight¹

338.78

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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 Pressure, Critical Volume, Enthalpy of vaporization 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	[308.23; 724.37]	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			-2.46090e+01
Coefficient B			1.43690e+00
Coefficient C			-8.38520e-04
Coefficient D			1.50600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	308.23	J/mol×K	273.00	Calculated Property
Cp,gas	385.45	J/mol×K	353.78	Calculated Property
Cp,gas	453.82	J/mol×K	434.56	Calculated Property
Cp,gas	513.80	J/mol×K	515.33	Calculated Property
Cp,gas	565.88	J/mol×K	596.11	Calculated Property
Cp,gas	610.53	J/mol×K	676.89	Calculated Property
Cp,gas	648.23	J/mol×K	757.67	Calculated Property
Cp,gas	679.45	J/mol×K	838.44	Calculated Property
Cp,gas	704.67	J/mol×K	919.22	Calculated Property
Cp,gas	724.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004463; 0.0000650]	Pa×s	[513.94; 783.90]	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			-1.33076e+01
Coefficient B			2.87451e+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.			513.94
Temperature range, max.			783.90
η	0.0004463	Pa×s	513.94	Calculated Property
η	0.0003278	Pa×s	543.94	Calculated Property
η	0.0002487	Pa×s	573.93	Calculated Property
η	0.0001939	Pa×s	603.93	Calculated Property
η	0.0001548	Pa×s	633.92	Calculated Property
η	0.0001262	Pa×s	663.92	Calculated Property
η	0.0001046	Pa×s	693.91	Calculated Property
η	0.0000881	Pa×s	723.91	Calculated Property
η	0.0000752	Pa×s	753.90	Calculated Property
η	0.0000650	Pa×s	783.90	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chlorobenzoic acid, 4-benzyloxyphenyl ester.

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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