Chemical Properties of Benzene, 1-iodo-2-(trifluoromethyl)- (CAS 444-29-1)

Benzene, 1-iodo-2-(trifluoromethyl)-

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InChI
InChI=1S/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H
InChI Key
IGZGUYVVBABKOY-UHFFFAOYSA-N
Formula
C7H4F3I
SMILES
FC(F)(F)c1ccccc1I
Molecular Weight1
272.01
CAS
444-29-1
Other Names
  • 1-Iodo-2-(trifluoromethyl)benzene
  • 2-Iodobenzotrifluoride
  • 2-Trifluoromethyliodobenzene
  • NSC 88291
  • Toluene, «alpha»,«alpha»,«alpha»-trifluoro-o-iodo-
  • o-Iodo-alpha,alpha,alpha-trifluorotoluene
  • o-Iodobenzotrifluoride
  • o-Trifluoromethyliodobenzene
  • «alpha»,«alpha»,«alpha»-Trifluoro-o-iodotoluene
  • «alpha»,«alpha»,«alpha»-trifluoro-2-iodotoluene
Sources

Physical Properties

Property Value Unit Source
Δf -412.63 kJ/mol Joback Calculated Property
Δfgas -482.96 kJ/mol Joback Calculated Property
Δfus 13.77 kJ/mol Joback Calculated Property
Δvap 39.74 kJ/mol Joback Calculated Property
logPoct/wat 3.31 Crippen Calculated Property
Pc 3411.87 kPa Joback Calculated Property
Tboil 471.00 K NIST
Tboil 470.70 K NIST
Tc 707.75 K Joback Calculated Property
Tfus 269.84 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 211.40 J/mol×K 478.94 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-I 1
-F 3
>C< 1
=CH- (ring) 4
=C< (ring) 2

Similar Compounds

Benzene, 1-iodo-4-(trifluoromethyl)-. Benzene, 1-iodo-3-(trifluoromethyl)-. Benzene, (trifluoromethyl)-. 2-IODOTOLUENE. 4-Chloro-3-iodobenzotrifluoride. Benzene, 1-chloro-4-(trifluoromethyl)-. 1,4-Bis(trifluoromethyl)benzene. 2-Iodo-1,4-dimethylbenzene. Benzene, 1,3-bis(trifluoromethyl)-. 1,3,5-Tris(trifluoromethyl)benzene. Benzene, 2-iodo-1,3-dimethyl-. Benzenamine, 4-(trifluoromethyl)-. Alpha,alpha,alpha-trifluoro-p-cresol. Benzene, 1-fluoro-4-(trifluoromethyl)-. 2-Iodobenzyl chloride.

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