Chemical Properties of 3,5-Dichloro-2-hydroxyacetophenone

InChI

InChI=1S/C8H6Cl2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3

InChI Key

CJFYGRLJDKWMDI-UHFFFAOYSA-N

Formula

C8H6Cl2O2

SMILES

CC(=O)c1cc(Cl)cc(Cl)c1O

Molecular Weight¹

205.04

Other Names

• Ethanone, 1-(3,5-dichloro-2-hydroxyphenyl)-
• Acetophenone, 3',5'-dichloro-2'-hydroxy-
• 2'-Hydroxy-3',5'-dichloroacetophenone
• 2-Acetyl-4,6-dichlorophenol
• 3',5'-Dichloro-2'-hydroxyacetophenone
• 4,6-Dichloro-2-acetylphenol
• 1-(3,5-Dichloro-2-hydroxy-phenyl)-ethanone

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[167.66; 335.43]	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			1.45300e+01
Coefficient B			7.06120e-01
Coefficient C			-5.86980e-04
Coefficient D			2.01760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.66	J/mol×K	273.00	Calculated Property
Cp,gas	199.81	J/mol×K	353.78	Calculated Property
Cp,gas	227.09	J/mol×K	434.56	Calculated Property
Cp,gas	250.15	J/mol×K	515.33	Calculated Property
Cp,gas	269.61	J/mol×K	596.11	Calculated Property
Cp,gas	286.13	J/mol×K	676.89	Calculated Property
Cp,gas	300.33	J/mol×K	757.67	Calculated Property
Cp,gas	312.85	J/mol×K	838.44	Calculated Property
Cp,gas	324.34	J/mol×K	919.22	Calculated Property
Cp,gas	335.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005001; 0.0000479]	Pa×s	[452.87; 611.52]	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			-1.66458e+01
Coefficient B			4.09623e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			452.87
Temperature range, max.			611.52
η	0.0005001	Pa×s	452.87	Calculated Property
η	0.0003563	Pa×s	470.50	Calculated Property
η	0.0002602	Pa×s	488.13	Calculated Property
η	0.0001942	Pa×s	505.75	Calculated Property
η	0.0001479	Pa×s	523.38	Calculated Property
η	0.0001146	Pa×s	541.01	Calculated Property
η	0.0000902	Pa×s	558.64	Calculated Property
η	0.0000721	Pa×s	576.26	Calculated Property
η	0.0000584	Pa×s	593.89	Calculated Property
η	0.0000479	Pa×s	611.52	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dichloro-2-hydroxyacetophenone.

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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