Chemical Properties of Ethanone, 2-(acetyloxy)-1,2-diphenyl- (CAS 574-06-1)

InChI

InChI=1S/C16H14O3/c1-12(17)19-16(14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13/h2-11,16H,1H3

InChI Key

QRWAIZJYJNLOPG-UHFFFAOYSA-N

Formula

C16H14O3

SMILES

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

Molecular Weight¹

254.28

CAS

574-06-1

Other Names

• Benzoin, acetate
• Benzoinacetate
• O-Acetylbenzoin

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.34; 605.40]	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			-4.83800e+01
Coefficient B			1.28912e+00
Coefficient C			-7.98900e-04
Coefficient D			1.63560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.34	J/mol×K	273.00	Calculated Property
Cp,gas	314.93	J/mol×K	353.78	Calculated Property
Cp,gas	374.37	J/mol×K	434.56	Calculated Property
Cp,gas	426.17	J/mol×K	515.33	Calculated Property
Cp,gas	470.84	J/mol×K	596.11	Calculated Property
Cp,gas	508.90	J/mol×K	676.89	Calculated Property
Cp,gas	540.87	J/mol×K	757.67	Calculated Property
Cp,gas	567.26	J/mol×K	838.44	Calculated Property
Cp,gas	588.60	J/mol×K	919.22	Calculated Property
Cp,gas	605.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040617; 0.0001298]	Pa×s	[355.15; 680.50]	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			-1.27075e+01
Coefficient B			2.55757e+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.			355.15
Temperature range, max.			680.50
η	0.0040617	Pa×s	355.15	Calculated Property
η	0.0020882	Pa×s	391.30	Calculated Property
η	0.0012015	Pa×s	427.45	Calculated Property
η	0.0007535	Pa×s	463.60	Calculated Property
η	0.0005056	Pa×s	499.75	Calculated Property
η	0.0003580	Pa×s	535.90	Calculated Property
η	0.0002648	Pa×s	572.05	Calculated Property
η	0.0002030	Pa×s	608.20	Calculated Property
η	0.0001603	Pa×s	644.35	Calculated Property
η	0.0001298	Pa×s	680.50	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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