Chemical Properties of Chloropicrin (CAS 76-06-2)

Chloropicrin

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InChI
InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
InChI Key
LFHISGNCFUNFFM-UHFFFAOYSA-N
Formula
CCl3NO2
SMILES
O=[N+]([O-])C(Cl)(Cl)Cl
Molecular Weight1
164.38
CAS
76-06-2
Other Names
  • Acquinite
  • Chloorpikrine
  • Chlor-o-pic
  • Chloroform, nitro-
  • Chloropicrin
  • Chloropicrine
  • Chlorpicrin
  • Chlorpikrin
  • Cloropicrina
  • Dojyopicrin
  • Dolochlor
  • G 25
  • KLOP
  • Larvacide
  • Larvacide 100
  • Methane, trichloronitro-
  • Microlysin
  • NCI-C00533
  • NSC 8743
  • Nemax
  • Nitrochloroform
  • Nitromethane, 1,1,1-trichloro-
  • Nitrotrichloromethane
  • PS
  • Pic-Clor
  • Picfume
  • Picride
  • Profume A
  • S 1
  • Tri-Clor
  • Trichloornitromethaan
  • Trichlornitromethan
  • Tricloro-nitro-metano
  • UN 1580
Sources

Physical Properties

Property Value Unit Source
Δf -39.86 kJ/mol Joback Calculated Property
Δfgas -130.70 kJ/mol Joback Calculated Property
Δfus 14.88 kJ/mol Joback Calculated Property
Δvap 46.27 kJ/mol Joback Calculated Property
logPoct/wat 1.59 Crippen Calculated Property
Pc 5146.06 kPa Joback Calculated Property
Tboil [385.00; 385.15] K Show Hide
Tboil 385.10 ± 0.70 K NIST
Tboil 385.05 ± 0.50 K NIST
Tboil 385.00 ± 0.50 K NIST
Tboil 385.15 ± 1.50 K NIST
Tc 736.19 K Joback Calculated Property
Tfus 203.70 ± 0.02 K NIST
Vc 0.31 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 121.68 J/mol×K 483.18 Joback Calculated Property
ΔvapH 39.30 kJ/mol 303.0 NIST
ΔvapH 38.50 kJ/mol 375.0 NIST

Molecular Descriptors

Joback and Reid Groups
-NO2 1
-Cl 3
>C< 1

Similar Compounds

Ethane, 1,1-dichloro-1-nitro-. Methane, nitro-. CH2NO2. 2-Chloro-2-nitropropane. Ethane, nitro-. Ethane, 1-chloro-2-nitro-. Bromonitromethane. Propane, 1-nitro-. Propane, 2-nitro-. Ethanol, 2-nitro-. Methane, trifluoronitro-. Propane, 2-methyl-1-nitro-. 1-Nitro-2-propanone. Butane, 1-nitro-. Propane, 2-methyl-2-nitro-.

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