Chemical Properties of Benzyl 2,4-Dihydroxyphenyl ketone

InChI

InChI=1S/C14H12O3/c15-11-6-7-12(14(17)9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,15,17H,8H2

InChI Key

VFQKAJVKZKHVPD-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

O=C(Cc1ccccc1)c1ccc(O)cc1O

Molecular Weight¹

228.25

Other Names

• Ethanone, 1-(2,4-dihydroxyphenyl)-2-phenyl-

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[222.66; 538.41]	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			-8.81290e+01
Coefficient B			1.45720e+00
Coefficient C			-1.29422e-03
Coefficient D			4.63560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.66	J/mol×K	273.00	Calculated Property
Cp,gas	285.94	J/mol×K	353.78	Calculated Property
Cp,gas	338.75	J/mol×K	434.56	Calculated Property
Cp,gas	382.55	J/mol×K	515.33	Calculated Property
Cp,gas	418.82	J/mol×K	596.11	Calculated Property
Cp,gas	449.02	J/mol×K	676.89	Calculated Property
Cp,gas	474.61	J/mol×K	757.67	Calculated Property
Cp,gas	497.06	J/mol×K	838.44	Calculated Property
Cp,gas	517.84	J/mol×K	919.22	Calculated Property
Cp,gas	538.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000210; 0.0000015]	Pa×s	[573.75; 733.99]	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			-2.29166e+01
Coefficient B			6.96727e+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.			573.75
Temperature range, max.			733.99
η	0.0000210	Pa×s	573.75	Calculated Property
η	0.0000145	Pa×s	591.55	Calculated Property
η	0.0000103	Pa×s	609.36	Calculated Property
η	0.0000074	Pa×s	627.16	Calculated Property
η	0.0000055	Pa×s	644.97	Calculated Property
η	0.0000041	Pa×s	662.77	Calculated Property
η	0.0000031	Pa×s	680.58	Calculated Property
η	0.0000024	Pa×s	698.38	Calculated Property
η	0.0000019	Pa×s	716.18	Calculated Property
η	0.0000015	Pa×s	733.99	Calculated Property

Similar Compounds

Find more compounds similar to Benzyl 2,4-Dihydroxyphenyl ketone.

Sources

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

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