Chemical Properties of Benzene, 1-chloro-2-(trichloromethyl)- (CAS 2136-89-2)

Benzene, 1-chloro-2-(trichloromethyl)-

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InChI
InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChI Key
MFHPYLFZSCSNST-UHFFFAOYSA-N
Formula
C7H4Cl4
SMILES
Clc1ccccc1C(Cl)(Cl)Cl
Molecular Weight1
229.92
CAS
2136-89-2
Other Names
  • 1-Chloro-2-(trichloromethyl)benzene
  • 2-Chlorobenzotrichloride
  • Toluene, o,«alpha»,«alpha»,«alpha»-tetrachloro-
  • o-Chlorobenzotrichloride
  • o-Chlorobenzylidyne chloride
  • o-Chlorophenyltrichloromethane
  • «alpha»,«alpha»,«alpha»,2-Tetrachlorotoluene
Sources

Physical Properties

Property Value Unit Source
Δf 65.96 kJ/mol Joback Calculated Property
Δfgas -34.46 kJ/mol Joback Calculated Property
Δfus 16.91 kJ/mol Joback Calculated Property
Δvap 50.36 kJ/mol Joback Calculated Property
logPoct/wat 4.17 Crippen Calculated Property
Pc 3448.03 kPa Joback Calculated Property
Tboil 535.20 K NIST
Tboil 537.50 K NIST
Tc 792.94 K Joback Calculated Property
Tfus 302.50 ± 0.02 K NIST
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 233.44 J/mol×K 537.71 Joback Calculated Property
η 0.00 Pa×s 537.71 Joback Calculated Property
ΔvapH 55.00 kJ/mol 505.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-Cl 4
>C< 1
=CH- (ring) 4

Similar Compounds

Benzene, 2,4-dichloro-1-(trichloromethyl)-. Alpha,alpha,alpha,alpha',alpha',alpha'-2-heptachloro-p-xylene. Benzene, 1,3-dichloro-2-(dichloromethyl)-. Alpha,alpha,alpha,alpha',alpha',alpha'-4-heptachloro-m-xylene. Alpha,alpha,alpha,alpha',alpha',alpha'-2,5-octachloro-p-xylene. Benzene, 1-chloro-2-(chloromethyl)-. Benzene, 1,3-dichloro-2-(chloromethyl)-. Benzene, 1-chloro-4-(trichloromethyl)-. Benzene, 2,4-dichloro-1-(chloromethyl)-. Benzene, 2-chloro-1,4-bis-(chloromethyl). Benzene, 4-chloro-3-(chloromethyl)-1-methyl. 1-Chloro-3-(dichloromethyl)benzene. Benzene, 4-chloro-5-(chloromethyl)-1,3-dimethyl. 3-Chloro-4-methylbenzyl chloride. Benzoyl chloride, 2-chloro-.

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