Chemical Properties of Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, ethyl ester

InChI

InChI=1S/C16H16O3/c1-2-19-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,18H,2H2,1H3

InChI Key

AIPVNQQMYPWQSX-UHFFFAOYSA-N

Formula

C16H16O3

SMILES

CCOC(=O)C(O)(c1ccccc1)c1ccccc1

Molecular Weight¹

256.30

Other Names

• Ethyl benzillate
• Ethyl diphenylglycolate

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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 Volume, Standard Gibbs free energy of formation 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[474.00; 474.20]	K	[2.80; 2.80]
Tboilr	474.20	K	2.80	NIST
Tboilr	474.00	K	2.80	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.77; 635.98]	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			-7.32390e+01
Coefficient B			1.47102e+00
Coefficient C			-1.01660e-03
Coefficient D			2.54800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.77	J/mol×K	273.00	Calculated Property
Cp,gas	331.22	J/mol×K	353.78	Calculated Property
Cp,gas	394.94	J/mol×K	434.56	Calculated Property
Cp,gas	449.72	J/mol×K	515.33	Calculated Property
Cp,gas	496.38	J/mol×K	596.11	Calculated Property
Cp,gas	535.72	J/mol×K	676.89	Calculated Property
Cp,gas	568.54	J/mol×K	757.67	Calculated Property
Cp,gas	595.65	J/mol×K	838.44	Calculated Property
Cp,gas	617.87	J/mol×K	919.22	Calculated Property
Cp,gas	635.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0675339; 0.0000309]	Pa×s	[307.00; 694.12]	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			-1.64856e+01
Coefficient B			4.23369e+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.			307.00
Temperature range, max.			694.12
η	0.0675339	Pa×s	307.00	Calculated Property
η	0.0124028	Pa×s	350.01	Calculated Property
η	0.0033008	Pa×s	393.03	Calculated Property
η	0.0011406	Pa×s	436.04	Calculated Property
η	0.0004770	Pa×s	479.05	Calculated Property
η	0.0002303	Pa×s	522.06	Calculated Property
η	0.0001242	Pa×s	565.08	Calculated Property
η	0.0000731	Pa×s	608.09	Calculated Property
η	0.0000462	Pa×s	651.10	Calculated Property
η	0.0000309	Pa×s	694.12	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, ethyl ester.

Sources

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

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