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

InChI

InChI=1S/C16H14Cl2O2/c1-9(2)10-4-6-15(19)12(7-10)16(20)11-3-5-13(17)14(18)8-11/h3-9,19H,1-2H3

InChI Key

XXAJPJDOUPKTPR-UHFFFAOYSA-N

Formula

C16H14Cl2O2

SMILES

CC(C)c1ccc(O)c(C(=O)c2ccc(Cl)c(Cl)c2)c1

Molecular Weight¹

309.19

• 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).
• 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, 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	[282.35; 627.13]	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			-1.40300e+01
Coefficient B			1.33364e+00
Coefficient C			-9.89540e-04
Coefficient D			2.97060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.35	J/mol×K	273.00	Calculated Property
Cp,gas	347.09	J/mol×K	353.78	Calculated Property
Cp,gas	403.02	J/mol×K	434.56	Calculated Property
Cp,gas	451.10	J/mol×K	515.33	Calculated Property
Cp,gas	492.26	J/mol×K	596.11	Calculated Property
Cp,gas	527.44	J/mol×K	676.89	Calculated Property
Cp,gas	557.58	J/mol×K	757.67	Calculated Property
Cp,gas	583.61	J/mol×K	838.44	Calculated Property
Cp,gas	606.48	J/mol×K	919.22	Calculated Property
Cp,gas	627.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001049; 0.0000111]	Pa×s	[566.97; 767.81]	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			-1.77510e+01
Coefficient B			4.86949e+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.			566.97
Temperature range, max.			767.81
η	0.0001049	Pa×s	566.97	Calculated Property
η	0.0000758	Pa×s	589.29	Calculated Property
η	0.0000561	Pa×s	611.60	Calculated Property
η	0.0000424	Pa×s	633.92	Calculated Property
η	0.0000326	Pa×s	656.23	Calculated Property
η	0.0000256	Pa×s	678.55	Calculated Property
η	0.0000203	Pa×s	700.86	Calculated Property
η	0.0000164	Pa×s	723.18	Calculated Property
η	0.0000134	Pa×s	745.49	Calculated Property
η	0.0000111	Pa×s	767.81	Calculated Property

Similar Compounds

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

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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