Chemical Properties of Benzoic acid, 4-[(butoxycarbonyl)oxy]-, 4-ethoxyphenyl ester

InChI

InChI=1S/C20H22O6/c1-3-5-14-24-20(22)26-18-8-6-15(7-9-18)19(21)25-17-12-10-16(11-13-17)23-4-2/h6-13H,3-5,14H2,1-2H3

InChI Key

GIJIKFKGLZGENN-UHFFFAOYSA-N

Formula

C20H22O6

SMILES

CCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(OCC)cc2)cc1

Molecular Weight¹

358.39

Other Names

• Butyl p-(p-ethoxyphenoxycarbonyl)-phenyl carbonate
• Butyl p-(ethoxyphenoxycarbonyl)phenyl carbonate
• Butyl p-(p-ethoxyphenyloxycarbonyl)phenyl carbonate
• Butyl para-(para-ethoxyphenoxycarbonyl)phenylcarbonate
• BEPC
• Carbonic acid, butyl ester, ester with p-ethoxyphenyl p-hydroxybenzoate
• 4-ethoxyphenyl 4-[(butoxycarbonyl)oxy]benzoate

• ω : Acentric Factor.
• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_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

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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	[383.83; 861.23]	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			4.73140e+01
Coefficient B			1.39104e+00
Coefficient C			-5.81320e-04
Coefficient D			4.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.83	J/mol×K	273.00	Calculated Property
Cp,gas	466.86	J/mol×K	353.78	Calculated Property
Cp,gas	542.37	J/mol×K	434.56	Calculated Property
Cp,gas	610.36	J/mol×K	515.33	Calculated Property
Cp,gas	670.85	J/mol×K	596.11	Calculated Property
Cp,gas	723.85	J/mol×K	676.89	Calculated Property
Cp,gas	769.37	J/mol×K	757.67	Calculated Property
Cp,gas	807.44	J/mol×K	838.44	Calculated Property
Cp,gas	838.05	J/mol×K	919.22	Calculated Property
Cp,gas	861.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002936; 0.0000412]	Pa×s	[522.16; 770.70]	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			-1.42264e+01
Coefficient B			3.18158e+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.			522.16
Temperature range, max.			770.70
η	0.0002936	Pa×s	522.16	Calculated Property
η	0.0002162	Pa×s	549.78	Calculated Property
η	0.0001639	Pa×s	577.39	Calculated Property
η	0.0001275	Pa×s	605.01	Calculated Property
η	0.0001013	Pa×s	632.62	Calculated Property
η	0.0000821	Pa×s	660.24	Calculated Property
η	0.0000677	Pa×s	687.86	Calculated Property
η	0.0000566	Pa×s	715.47	Calculated Property
η	0.0000480	Pa×s	743.09	Calculated Property
η	0.0000412	Pa×s	770.70	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-[(butoxycarbonyl)oxy]-, 4-ethoxyphenyl ester.

Sources

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

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