Chemical Properties of 4,4'-Dihydroxybenzophenone (CAS 611-99-4)

InChI

InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H

InChI Key

RXNYJUSEXLAVNQ-UHFFFAOYSA-N

Formula

C13H10O3

SMILES

O=C(c1ccc(O)cc1)c1ccc(O)cc1

Molecular Weight¹

214.22

CAS

611-99-4

Other Names

• 4,4'-Dihydroxydiphenyl ketone
• Benzophenone, 4,4'-dihydroxy-
• Bis(4-hydroxyphenyl) ketone
• Bis(p-hydroxy)benzophenone
• Bis-(4-hydroxy-phenyl)-methanone
• HBP
• HBP (ketone)
• Methanone, bis(4-hydroxyphenyl)-
• NSC 2831
• p,p'-Dihydroxybenzophenone

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[201.45; 486.82]	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			-8.72200e+01
Coefficient B			1.36220e+00
Coefficient C			-1.23982e-03
Coefficient D			4.51660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.45	J/mol×K	273.00	Calculated Property
Cp,gas	259.52	J/mol×K	353.78	Calculated Property
Cp,gas	307.67	J/mol×K	434.56	Calculated Property
Cp,gas	347.32	J/mol×K	515.33	Calculated Property
Cp,gas	379.91	J/mol×K	596.11	Calculated Property
Cp,gas	406.86	J/mol×K	676.89	Calculated Property
Cp,gas	429.59	J/mol×K	757.67	Calculated Property
Cp,gas	449.55	J/mol×K	838.44	Calculated Property
Cp,gas	468.15	J/mol×K	919.22	Calculated Property
Cp,gas	486.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000259; 0.0000017]	Pa×s	[562.48; 722.28]	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			-2.27810e+01
Coefficient B			6.87311e+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.			562.48
Temperature range, max.			722.28
η	0.0000259	Pa×s	562.48	Calculated Property
η	0.0000178	Pa×s	580.24	Calculated Property
η	0.0000125	Pa×s	597.99	Calculated Property
η	0.0000090	Pa×s	615.75	Calculated Property
η	0.0000066	Pa×s	633.50	Calculated Property
η	0.0000049	Pa×s	651.26	Calculated Property
η	0.0000037	Pa×s	669.01	Calculated Property
η	0.0000028	Pa×s	686.77	Calculated Property
η	0.0000022	Pa×s	704.53	Calculated Property
η	0.0000017	Pa×s	722.28	Calculated Property

Similar Compounds

Find more compounds similar to 4,4'-Dihydroxybenzophenone.

Sources

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

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