Chemical Properties of 2-Ethylbutyric acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C19H22O3/c1-3-16(4-2)19(20)22-18-12-10-17(11-13-18)21-14-15-8-6-5-7-9-15/h5-13,16H,3-4,14H2,1-2H3

InChI Key

ZIDVZFPAIRHFJN-UHFFFAOYSA-N

Formula

C19H22O3

SMILES

CCC(CC)C(=O)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

298.38

• 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_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 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	[328.01; 786.61]	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			-1.86670e+01
Coefficient B			1.47944e+00
Coefficient C			-8.02760e-04
Coefficient D			1.28600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	328.01	J/mol×K	273.00	Calculated Property
Cp,gas	409.95	J/mol×K	353.78	Calculated Property
Cp,gas	483.19	J/mol×K	434.56	Calculated Property
Cp,gas	548.15	J/mol×K	515.33	Calculated Property
Cp,gas	605.23	J/mol×K	596.11	Calculated Property
Cp,gas	654.83	J/mol×K	676.89	Calculated Property
Cp,gas	697.36	J/mol×K	757.67	Calculated Property
Cp,gas	733.23	J/mol×K	838.44	Calculated Property
Cp,gas	762.84	J/mol×K	919.22	Calculated Property
Cp,gas	786.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009848; 0.0000780]	Pa×s	[418.81; 696.30]	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			-1.32856e+01
Coefficient B			2.66469e+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.			418.81
Temperature range, max.			696.30
η	0.0009848	Pa×s	418.81	Calculated Property
η	0.0006366	Pa×s	449.64	Calculated Property
η	0.0004352	Pa×s	480.47	Calculated Property
η	0.0003115	Pa×s	511.31	Calculated Property
η	0.0002316	Pa×s	542.14	Calculated Property
η	0.0001778	Pa×s	572.97	Calculated Property
η	0.0001402	Pa×s	603.80	Calculated Property
η	0.0001131	Pa×s	634.64	Calculated Property
η	0.0000931	Pa×s	665.47	Calculated Property
η	0.0000780	Pa×s	696.30	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric 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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