Chemical Properties of Ethanone, 2-(benzoyloxy)-1,2-diphenyl- (CAS 1459-20-7)

InChI

InChI=1S/C21H16O3/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-21(23)18-14-8-3-9-15-18/h1-15,20H

InChI Key

FGOSBCXOMBLILW-UHFFFAOYSA-N

Formula

C21H16O3

SMILES

O=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1

Molecular Weight¹

316.35

CAS

1459-20-7

Other Names

• Desyl 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).
• 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_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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.15; 744.83]	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			-8.68300e+01
Coefficient B			1.68520e+00
Coefficient C			-1.10210e-03
Coefficient D			2.48560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	296.15	J/mol×K	273.00	Calculated Property
Cp,gas	382.42	J/mol×K	353.78	Calculated Property
Cp,gas	457.76	J/mol×K	434.56	Calculated Property
Cp,gas	522.94	J/mol×K	515.33	Calculated Property
Cp,gas	578.76	J/mol×K	596.11	Calculated Property
Cp,gas	625.99	J/mol×K	676.89	Calculated Property
Cp,gas	665.43	J/mol×K	757.67	Calculated Property
Cp,gas	697.86	J/mol×K	838.44	Calculated Property
Cp,gas	724.06	J/mol×K	919.22	Calculated Property
Cp,gas	744.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008864; 0.0000749]	Pa×s	[482.95; 791.52]	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			-1.33681e+01
Coefficient B			3.06179e+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.			482.95
Temperature range, max.			791.52
η	0.0008864	Pa×s	482.95	Calculated Property
η	0.0005823	Pa×s	517.24	Calculated Property
η	0.0004030	Pa×s	551.52	Calculated Property
η	0.0002912	Pa×s	585.81	Calculated Property
η	0.0002181	Pa×s	620.09	Calculated Property
η	0.0001684	Pa×s	654.38	Calculated Property
η	0.0001334	Pa×s	688.67	Calculated Property
η	0.0001080	Pa×s	722.95	Calculated Property
η	0.0000892	Pa×s	757.24	Calculated Property
η	0.0000749	Pa×s	791.52	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 2-(benzoyloxy)-1,2-diphenyl-.

Sources

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

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