Chemical Properties of 3',4'-Dichloro-5-ethyl-2-hydroxybenzophenone

InChI

InChI=1S/C15H12Cl2O2/c1-2-9-3-6-14(18)11(7-9)15(19)10-4-5-12(16)13(17)8-10/h3-8,18H,2H2,1H3

InChI Key

GEZIUOUTPVCCAA-UHFFFAOYSA-N

Formula

C15H12Cl2O2

SMILES

CCc1ccc(O)c(C(=O)c2ccc(Cl)c(Cl)c2)c1

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	[261.45; 575.00]	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			-1.14390e+01
Coefficient B			1.23272e+00
Coefficient C			-9.31940e-04
Coefficient D			2.85660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.45	J/mol×K	273.00	Calculated Property
Cp,gas	320.68	J/mol×K	353.78	Calculated Property
Cp,gas	371.70	J/mol×K	434.56	Calculated Property
Cp,gas	415.42	J/mol×K	515.33	Calculated Property
Cp,gas	452.75	J/mol×K	596.11	Calculated Property
Cp,gas	484.57	J/mol×K	676.89	Calculated Property
Cp,gas	511.81	J/mol×K	757.67	Calculated Property
Cp,gas	535.36	J/mol×K	838.44	Calculated Property
Cp,gas	556.12	J/mol×K	919.22	Calculated Property
Cp,gas	575.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001048; 0.0000141]	Pa×s	[570.70; 752.50]	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			-1.74645e+01
Coefficient B			4.73751e+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.			570.70
Temperature range, max.			752.50
η	0.0001048	Pa×s	570.70	Calculated Property
η	0.0000789	Pa×s	590.90	Calculated Property
η	0.0000606	Pa×s	611.10	Calculated Property
η	0.0000472	Pa×s	631.30	Calculated Property
η	0.0000374	Pa×s	651.50	Calculated Property
η	0.0000301	Pa×s	671.70	Calculated Property
η	0.0000245	Pa×s	691.90	Calculated Property
η	0.0000202	Pa×s	712.10	Calculated Property
η	0.0000168	Pa×s	732.30	Calculated Property
η	0.0000141	Pa×s	752.50	Calculated Property

Similar Compounds

Find more compounds similar to 3',4'-Dichloro-5-ethyl-2-hydroxybenzophenone.

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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