Accuracy

trifluoroacetonitrile   1316 Trifluoroacetonitrile

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  1306 TrifluoroethyleneHC2F3
  1307 CF3CH2, cationC2H2F3
  1308 CH2F.CF2, cationC2H2F3
  1309 CF3CH2.C2H2F3
  1310 1,1,1-TrifluoroethaneC2H3F3
  1311 (Trifluoromethyl)-benzeneC7H5F3
  1312 TrifluoromethylbenzeneC7H5F3
  1313 Nitrogen trifluoride (Geo)NF3
  1314 Nitrogen trifluorideNF3
  1315 Trifluoroacetonitrile (Geo)C2NF3
  1316 Trifluoroacetonitrile C2NF3
  1317 TrifluoromethylisocyanideC2NF3
  1318 F3NONOF3
  1319 Trifluoroacetic acidHC2O2F3
  1320 Carbon tetrafluorideCF4
  1321 Carbon tetrafluoride (Geo)CF4
  1322 Tetrafluoroethylene (Geo)C2F4
  1323 TetrafluoroethyleneC2F4
  1324 1,2,4,5-TetrafluorobenzeneC6H2F4
  1325 1-Fluoro-3-(trifluoro-methyl)benzeneC7H4F4
  1326 TetrafluorohydrazineN2F4


ΔHf: -118.4 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 1.3 Debye,     REF: P. B. Foreman, K. R. Chien, J. R. Williams, S. G. Kukolich, J. Mol. Spectrosc. 52, 251 (1974).
  
 SYMMETRY
Trifluoroacetonitrile
 D=1.26 H=-118.4 HR=JANAF86 DR=FCWK1974 S=71.24 CP=18.62
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.46923532 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.33106619 +1  113.0819303 +1    0.0000000 +0     2     1     0
  F     1.33106619 +0  113.0819303 +0  120.0000000 +0     2     1     3
  F     1.33106619 +0  113.0819303 +0 -120.0000000 +0     2     1     3
  N     1.15230674 +1  180.0000000 +0    0.0000000 +0     1     2     3
 
   3  1    4    5
   3  2    4    5