Chemical Properties of 3-Fluoro-5-(trifluoromethyl)benzonitrile (CAS 149793-69-1)

3-Fluoro-5-(trifluoromethyl)benzonitrile

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InChI
InChI=1S/C8H3F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H
InChI Key
AYNUKEDZAYOEGG-UHFFFAOYSA-N
Formula
C8H3F4N
SMILES
N#Cc1cc(F)cc(C(F)(F)F)c1
Molecular Weight1
189.11
CAS
149793-69-1
Other Names
  • «alpha»,«alpha»,«alpha»,5-Tetrafluoro-m-tolunitrile
Sources

Physical Properties

Property Value Unit Source
Δf -533.59 kJ/mol Joback Calculated Property
Δfgas -623.17 kJ/mol Joback Calculated Property
Δfus 16.15 kJ/mol Joback Calculated Property
Δvap 42.92 kJ/mol Joback Calculated Property
logPoct/wat 2.72 Crippen Calculated Property
Pc 2856.62 kPa Joback Calculated Property
Tboil 515.01 K Joback Calculated Property
Tc 717.26 K Joback Calculated Property
Tfus 301.15 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 237.76 J/mol×K 515.01 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

M-xylene, alpha,alpha,alpha,alpha',alpha',alpha',5-heptafluoro-. 3-(CF3)-C6H4-CN. 2-Fluoro-5-(trifluoromethyl)benzonitrile. Benzonitrile, 3,5-bis(trifluoromethyl)-. 3-Fluoro-5-(trifluoromethyl)benzyl alcohol. 3-Fluoro-5-(trifluoromethyl)benzaldehyde. 4-Fluoro-3-(trifluoromethyl)benzonitrile. 3-Fluoro-5-(trifluoromethyl)benzylamine. 1-Fluoro-3-(trifluoro-methyl)benzene. .ALPHA.,.alpha.,.alpha.,2-tetrafluoro-m-tolunitrile. ALPHA,ALPHA,ALPHA,2-TETRAFLUORO-P-TOLUNITRILE. 4-Fluoro-2-(trifluoromethyl)benzonitrile. .ALPHA.,.alpha.,.alpha.,6-tetrafluoro-o-tolunitrile. 3-Fluoro-5-(trifluoromethyl)benzoic acid. 4-Chloro-3-cyanobenzotrifluoride.

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