Chemical Properties of Glutaric acid, ethyl 3-phenoxybenzyl ester

InChI

InChI=1S/C20H22O5/c1-2-23-19(21)12-7-13-20(22)24-15-16-8-6-11-18(14-16)25-17-9-4-3-5-10-17/h3-6,8-11,14H,2,7,12-13,15H2,1H3

InChI Key

GVTPFKPAQCHDOP-UHFFFAOYSA-N

Formula

C20H22O5

SMILES

CCOC(=O)CCCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

342.39

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation 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	[365.87; 845.77]	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			7.51500e+00
Coefficient B			1.51372e+00
Coefficient C			-7.59360e-04
Coefficient D			8.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	365.87	J/mol×K	273.00	Calculated Property
Cp,gas	451.71	J/mol×K	353.78	Calculated Property
Cp,gas	528.80	J/mol×K	434.56	Calculated Property
Cp,gas	597.41	J/mol×K	515.33	Calculated Property
Cp,gas	657.80	J/mol×K	596.11	Calculated Property
Cp,gas	710.23	J/mol×K	676.89	Calculated Property
Cp,gas	754.98	J/mol×K	757.67	Calculated Property
Cp,gas	792.32	J/mol×K	838.44	Calculated Property
Cp,gas	822.49	J/mol×K	919.22	Calculated Property
Cp,gas	845.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005015; 0.0000533]	Pa×s	[487.41; 751.34]	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			-1.39800e+01
Coefficient B			3.11075e+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.			487.41
Temperature range, max.			751.34
η	0.0005015	Pa×s	487.41	Calculated Property
η	0.0003491	Pa×s	516.74	Calculated Property
η	0.0002527	Pa×s	546.06	Calculated Property
η	0.0001890	Pa×s	575.39	Calculated Property
η	0.0001454	Pa×s	604.71	Calculated Property
η	0.0001146	Pa×s	634.04	Calculated Property
η	0.0000923	Pa×s	663.37	Calculated Property
η	0.0000757	Pa×s	692.69	Calculated Property
η	0.0000630	Pa×s	722.02	Calculated Property
η	0.0000533	Pa×s	751.34	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 3-phenoxybenzyl 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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