Chemical Properties of 2,6-Dichloroacetophenone (CAS 2040-05-3)

InChI

InChI=1S/C8H6Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3

InChI Key

HYBDSXBLGCQKRE-UHFFFAOYSA-N

Formula

C8H6Cl2O

SMILES

CC(=O)c1c(Cl)cccc1Cl

Molecular Weight¹

189.04

CAS

2040-05-3

Other Names

• 1-(2,6-dichlorophenyl)ethan-1-one
• Ethanone, 1-(2,6-dichlorophenyl)-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[150.77; 313.01]	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			2.34500e+01
Coefficient B			5.51520e-01
Coefficient C			-3.30620e-04
Coefficient D			6.86600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.77	J/mol×K	273.00	Calculated Property
Cp,gas	180.23	J/mol×K	353.78	Calculated Property
Cp,gas	206.32	J/mol×K	434.56	Calculated Property
Cp,gas	229.26	J/mol×K	515.33	Calculated Property
Cp,gas	249.28	J/mol×K	596.11	Calculated Property
Cp,gas	266.58	J/mol×K	676.89	Calculated Property
Cp,gas	281.39	J/mol×K	757.67	Calculated Property
Cp,gas	293.92	J/mol×K	838.44	Calculated Property
Cp,gas	304.38	J/mol×K	919.22	Calculated Property
Cp,gas	313.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024333; 0.0002922]	Pa×s	[316.15; 548.08]	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			-1.10270e+01
Coefficient B			1.58345e+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.			316.15
Temperature range, max.			548.08
η	0.0024333	Pa×s	316.15	Calculated Property
η	0.0016682	Pa×s	341.92	Calculated Property
η	0.0012059	Pa×s	367.69	Calculated Property
η	0.0009095	Pa×s	393.46	Calculated Property
η	0.0007102	Pa×s	419.23	Calculated Property
η	0.0005707	Pa×s	445.00	Calculated Property
η	0.0004697	Pa×s	470.77	Calculated Property
η	0.0003944	Pa×s	496.54	Calculated Property
η	0.0003370	Pa×s	522.31	Calculated Property
η	0.0002922	Pa×s	548.08	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Dichloroacetophenone.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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