Chemical Properties of Ethanone, 1-(5-chloro-2-hydroxyphenyl)- (CAS 1450-74-4)

InChI

InChI=1S/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3

InChI Key

XTGCUDZCCIRWHL-UHFFFAOYSA-N

Formula

C8H7ClO2

SMILES

CC(=O)c1cc(Cl)ccc1O

Molecular Weight¹

170.59

CAS

1450-74-4

Other Names

• Acetophenone, 5'-chloro-2'-hydroxy-
• 2-Acetyl-4-chlorophenol
• 5'-Chloro-2'-hydroxyacetophenone
• 2'-Hydroxy-5'-chloroacetophenone
• 5-Chloro-2-hydroxyacetophenone
• 1-(5-chloro-2-hydroxyphenyl)ethan-1-one

• 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_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 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	[151.70; 330.20]	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			-1.26600e+01
Coefficient B			7.58820e-01
Coefficient C			-6.33620e-04
Coefficient D			2.17660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.70	J/mol×K	273.00	Calculated Property
Cp,gas	186.13	J/mol×K	353.78	Calculated Property
Cp,gas	215.30	J/mol×K	434.56	Calculated Property
Cp,gas	239.90	J/mol×K	515.33	Calculated Property
Cp,gas	260.63	J/mol×K	596.11	Calculated Property
Cp,gas	278.17	J/mol×K	676.89	Calculated Property
Cp,gas	293.21	J/mol×K	757.67	Calculated Property
Cp,gas	306.43	J/mol×K	838.44	Calculated Property
Cp,gas	318.53	J/mol×K	919.22	Calculated Property
Cp,gas	330.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009664; 0.0000577]	Pa×s	[410.43; 578.81]	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			-1.66297e+01
Coefficient B			3.97617e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			410.43
Temperature range, max.			578.81
η	0.0009664	Pa×s	410.43	Calculated Property
η	0.0006335	Pa×s	429.14	Calculated Property
η	0.0004302	Pa×s	447.85	Calculated Property
η	0.0003013	Pa×s	466.56	Calculated Property
η	0.0002169	Pa×s	485.27	Calculated Property
η	0.0001600	Pa×s	503.98	Calculated Property
η	0.0001207	Pa×s	522.68	Calculated Property
η	0.0000928	Pa×s	541.39	Calculated Property
η	0.0000726	Pa×s	560.10	Calculated Property
η	0.0000577	Pa×s	578.81	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(5-chloro-2-hydroxyphenyl)-.

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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