Chemical Properties of 4-Ethylbenzoic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C22H20O3/c1-2-17-8-10-19(11-9-17)22(23)25-21-14-12-20(13-15-21)24-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3

InChI Key

YGLUCBMXAHYNRN-UHFFFAOYSA-N

Formula

C22H20O3

SMILES

CCc1ccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1

Molecular Weight¹

332.40

• 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).
• I_np : Non-polar retention indices.
• 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	[337.26; 819.28]	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			-3.93180e+01
Coefficient B			1.62012e+00
Coefficient C			-9.26920e-04
Coefficient D			1.65400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	337.26	J/mol×K	273.00	Calculated Property
Cp,gas	425.16	J/mol×K	353.78	Calculated Property
Cp,gas	503.25	J/mol×K	434.56	Calculated Property
Cp,gas	572.06	J/mol×K	515.33	Calculated Property
Cp,gas	632.11	J/mol×K	596.11	Calculated Property
Cp,gas	683.92	J/mol×K	676.89	Calculated Property
Cp,gas	728.03	J/mol×K	757.67	Calculated Property
Cp,gas	764.94	J/mol×K	838.44	Calculated Property
Cp,gas	795.18	J/mol×K	919.22	Calculated Property
Cp,gas	819.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004427; 0.0000592]	Pa×s	[506.56; 782.38]	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			-1.34307e+01
Coefficient B			2.89151e+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.			506.56
Temperature range, max.			782.38
η	0.0004427	Pa×s	506.56	Calculated Property
η	0.0003197	Pa×s	537.21	Calculated Property
η	0.0002391	Pa×s	567.85	Calculated Property
η	0.0001842	Pa×s	598.50	Calculated Property
η	0.0001456	Pa×s	629.15	Calculated Property
η	0.0001176	Pa×s	659.79	Calculated Property
η	0.0000968	Pa×s	690.44	Calculated Property
η	0.0000810	Pa×s	721.09	Calculated Property
η	0.0000688	Pa×s	751.74	Calculated Property
η	0.0000592	Pa×s	782.38	Calculated Property

Similar Compounds

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

Sources

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

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