Chemical Properties of Benzophenone, 4'-chloro-2,4-dihydroxy- (CAS 18239-10-6)

InChI

InChI=1S/C13H9ClO3/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,15-16H

InChI Key

OKCRKLJFFOUPLM-UHFFFAOYSA-N

Formula

C13H9ClO3

SMILES

O=C(c1ccc(Cl)cc1)c1ccc(O)cc1O

Molecular Weight¹

248.66

CAS

18239-10-6

• 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).
• 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 Pressure, 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	[217.40; 492.05]	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			-6.00300e+01
Coefficient B			1.30950e+00
Coefficient C			-1.19318e-03
Coefficient D			4.35760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.40	J/mol×K	273.00	Calculated Property
Cp,gas	273.20	J/mol×K	353.78	Calculated Property
Cp,gas	319.46	J/mol×K	434.56	Calculated Property
Cp,gas	357.56	J/mol×K	515.33	Calculated Property
Cp,gas	388.89	J/mol×K	596.11	Calculated Property
Cp,gas	414.81	J/mol×K	676.89	Calculated Property
Cp,gas	436.71	J/mol×K	757.67	Calculated Property
Cp,gas	455.96	J/mol×K	838.44	Calculated Property
Cp,gas	473.95	J/mol×K	919.22	Calculated Property
Cp,gas	492.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000127; 0.0000013]	Pa×s	[604.92; 753.35]	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			-2.28319e+01
Coefficient B			6.99317e+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.			604.92
Temperature range, max.			753.35
η	0.0000127	Pa×s	604.92	Calculated Property
η	0.0000094	Pa×s	621.41	Calculated Property
η	0.0000070	Pa×s	637.90	Calculated Property
η	0.0000053	Pa×s	654.40	Calculated Property
η	0.0000041	Pa×s	670.89	Calculated Property
η	0.0000032	Pa×s	687.38	Calculated Property
η	0.0000025	Pa×s	703.87	Calculated Property
η	0.0000020	Pa×s	720.37	Calculated Property
η	0.0000016	Pa×s	736.86	Calculated Property
η	0.0000013	Pa×s	753.35	Calculated Property

Similar Compounds

Find more compounds similar to Benzophenone, 4'-chloro-2,4-dihydroxy-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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