Chemical Properties of 2-Chlorobenzalmalononitrile (CAS 2698-41-1)

2-Chlorobenzalmalononitrile

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InChI
InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
InChI Key
JJNZXLAFIPKXIG-UHFFFAOYSA-N
Formula
C10H5ClN2
SMILES
N#CC(C#N)=Cc1ccccc1Cl
Molecular Weight1
188.61
CAS
2698-41-1
Other Names
  • (o-Chlorobenzal)malononitrile
  • (o-Chlorobenzylidene)malonitrile
  • (o-Chlorobenzylidene)malononitrile
  • 2-Chloro BMN
  • 2-Chlorobenzylidenemaloninitrile
  • 2-Chlorobenzylidenemalononitrile
  • 2-Chlorobenzylmalonodinitrile
  • CS
  • CS (lacrimator)
  • Malononitrile, (o-chlorobenzylidene)-
  • NCI-C55118
  • NSC 542
  • Propanedinitrile, 2-[(2-chlorophenyl)methylene]-
  • Propanedinitrile, [(2-chlorophenyl)methylene]-
  • USAF KF-11
  • [(2-chlorophenyl)methylene]malononitrile
  • beta,bbeta-Dicyano-o-chlorostyrene
  • o-Chlorobenzylidenemalonic nitrile
  • «beta»,«beta»-Dicyano-o-chlorostyrene
Sources

Physical Properties

Property Value Unit Source
Δf 462.20 kJ/mol Joback Calculated Property
Δfgas 396.78 kJ/mol Joback Calculated Property
Δfus 21.41 kJ/mol Joback Calculated Property
Δvap 66.17 kJ/mol Joback Calculated Property
logPoct/wat 2.77 Crippen Calculated Property
Pc 2793.56 kPa Joback Calculated Property
Tboil 705.49 K Joback Calculated Property
Tc 960.44 K Joback Calculated Property
Tfus 382.26 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 300.16 J/mol×K 705.49 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Cinnamonitrile, 2-chloro, cis. Prop-2-enenitrile, 3-(2-chlorophenyl)-. Benzene, 1-chloro-4-(2,2-dicyanoethenyl). 2-CHLORO-BENZALACETONE. Propanedinitrile, (phenylmethylene)-. 2-Chlorocinnamic acid. Di-(2-o-chlorophenyl-ethylene)-ketone. 2-Chlorostyrene. 2,6-Dichlorocinnamic acid. 2,6-Dichlorostyrene. 2,4-Dichloro-1-vinylbenzene. 2-Propenethioamide, 3-(4-chlorophenyl)-2-cyano-, (E)-. Benzene, 1,4-dichloro-2-ethenyl-. Alpha-(p-chlorophenyl)-o-chlorocinnamonitrile. Malonitrile, diphenylmethylene.

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