Chemical Properties of 3',4'-Dichloro-4,5-dimethyl-2-hydroxy benzophenone

InChI

InChI=1S/C15H12Cl2O2/c1-8-5-11(14(18)6-9(8)2)15(19)10-3-4-12(16)13(17)7-10/h3-7,18H,1-2H3

InChI Key

GRGXTVBGKMCVJJ-UHFFFAOYSA-N

Formula

C15H12Cl2O2

SMILES

Cc1cc(O)c(C(=O)c2ccc(Cl)c(Cl)c2)cc1C

Molecular Weight¹

295.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[264.00; 571.96]	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			2.86000e+00
Coefficient B			1.17324e+00
Coefficient C			-8.64900e-04
Coefficient D			2.60760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.00	J/mol×K	273.00	Calculated Property
Cp,gas	321.22	J/mol×K	353.78	Calculated Property
Cp,gas	370.77	J/mol×K	434.56	Calculated Property
Cp,gas	413.47	J/mol×K	515.33	Calculated Property
Cp,gas	450.14	J/mol×K	596.11	Calculated Property
Cp,gas	481.61	J/mol×K	676.89	Calculated Property
Cp,gas	508.70	J/mol×K	757.67	Calculated Property
Cp,gas	532.24	J/mol×K	838.44	Calculated Property
Cp,gas	553.05	J/mol×K	919.22	Calculated Property
Cp,gas	571.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000883; 0.0000140]	Pa×s	[583.22; 756.47]	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			-1.73705e+01
Coefficient B			4.68625e+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.			583.22
Temperature range, max.			756.47
η	0.0000883	Pa×s	583.22	Calculated Property
η	0.0000683	Pa×s	602.47	Calculated Property
η	0.0000537	Pa×s	621.72	Calculated Property
η	0.0000428	Pa×s	640.97	Calculated Property
η	0.0000346	Pa×s	660.22	Calculated Property
η	0.0000283	Pa×s	679.47	Calculated Property
η	0.0000234	Pa×s	698.72	Calculated Property
η	0.0000195	Pa×s	717.97	Calculated Property
η	0.0000165	Pa×s	737.22	Calculated Property
η	0.0000140	Pa×s	756.47	Calculated Property

Similar Compounds

Find more compounds similar to 3',4'-Dichloro-4,5-dimethyl-2-hydroxy benzophenone.

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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