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

InChI

InChI=1S/C24H24O3/c1-2-3-7-19-10-12-21(13-11-19)24(25)27-23-16-14-22(15-17-23)26-18-20-8-5-4-6-9-20/h4-6,8-17H,2-3,7,18H2,1H3

InChI Key

XGUHUAHNDPETLF-UHFFFAOYSA-N

Formula

C24H24O3

SMILES

CCCCc1ccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1

Molecular Weight¹

360.45

• 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	[379.69; 922.46]	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			-4.11360e+01
Coefficient B			1.81012e+00
Coefficient C			-1.03572e-03
Coefficient D			1.89200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	379.69	J/mol×K	273.00	Calculated Property
Cp,gas	477.99	J/mol×K	353.78	Calculated Property
Cp,gas	565.40	J/mol×K	434.56	Calculated Property
Cp,gas	642.52	J/mol×K	515.33	Calculated Property
Cp,gas	709.93	J/mol×K	596.11	Calculated Property
Cp,gas	768.25	J/mol×K	676.89	Calculated Property
Cp,gas	818.06	J/mol×K	757.67	Calculated Property
Cp,gas	859.97	J/mol×K	838.44	Calculated Property
Cp,gas	894.57	J/mol×K	919.22	Calculated Property
Cp,gas	922.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003610; 0.0000479]	Pa×s	[529.10; 810.15]	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			-1.37476e+01
Coefficient B			3.07983e+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.			529.10
Temperature range, max.			810.15
η	0.0003610	Pa×s	529.10	Calculated Property
η	0.0002610	Pa×s	560.33	Calculated Property
η	0.0001952	Pa×s	591.55	Calculated Property
η	0.0001504	Pa×s	622.78	Calculated Property
η	0.0001188	Pa×s	654.01	Calculated Property
η	0.0000958	Pa×s	685.24	Calculated Property
η	0.0000788	Pa×s	716.46	Calculated Property
η	0.0000658	Pa×s	747.69	Calculated Property
η	0.0000558	Pa×s	778.92	Calculated Property
η	0.0000479	Pa×s	810.15	Calculated Property

Similar Compounds

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

Sources

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

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