Chemical Properties of 4'-Chloro-2-hydroxy-5-methylbenzophenone (CAS 6279-05-6)

InChI

InChI=1S/C14H11ClO2/c1-9-2-7-13(16)12(8-9)14(17)10-3-5-11(15)6-4-10/h2-8,16H,1H3

InChI Key

GANGXBRARYTWTE-UHFFFAOYSA-N

Formula

C14H11ClO2

SMILES

Cc1ccc(O)c(C(=O)c2ccc(Cl)cc2)c1

Molecular Weight¹

246.69

CAS

6279-05-6

• 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_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 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	[224.28; 518.18]	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			-3.77200e+01
Coefficient B			1.19042e+00
Coefficient C			-9.24180e-04
Coefficient D			2.89660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.28	J/mol×K	273.00	Calculated Property
Cp,gas	280.58	J/mol×K	353.78	Calculated Property
Cp,gas	328.83	J/mol×K	434.56	Calculated Property
Cp,gas	369.95	J/mol×K	515.33	Calculated Property
Cp,gas	404.85	J/mol×K	596.11	Calculated Property
Cp,gas	434.46	J/mol×K	676.89	Calculated Property
Cp,gas	459.67	J/mol×K	757.67	Calculated Property
Cp,gas	481.42	J/mol×K	838.44	Calculated Property
Cp,gas	500.62	J/mol×K	919.22	Calculated Property
Cp,gas	518.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002044; 0.0000191]	Pa×s	[516.99; 709.05]	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			-1.72449e+01
Coefficient B			4.52329e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			516.99
Temperature range, max.			709.05
η	0.0002044	Pa×s	516.99	Calculated Property
η	0.0001445	Pa×s	538.33	Calculated Property
η	0.0001049	Pa×s	559.67	Calculated Property
η	0.0000779	Pa×s	581.01	Calculated Property
η	0.0000591	Pa×s	602.35	Calculated Property
η	0.0000457	Pa×s	623.69	Calculated Property
η	0.0000360	Pa×s	645.03	Calculated Property
η	0.0000287	Pa×s	666.37	Calculated Property
η	0.0000233	Pa×s	687.71	Calculated Property
η	0.0000191	Pa×s	709.05	Calculated Property

Similar Compounds

Find more compounds similar to 4'-Chloro-2-hydroxy-5-methylbenzophenone.

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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