Accuracy

trichloroacetaldehyde   1794 Trichloroacetaldehyde

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

    

    #  Species Formula
  1784 S-Methyldichlorothiophosphate (Geo)CH3OPSCl2
  1785 TrichloromethylCCl3
  1786 Chloroform (Geo)HCCl3
  1787 ChloroformHCCl3
  1788 TrichloroethyleneHC2Cl3
  1789 1,1,1-TrichloroethaneC2H3Cl3
  1790 1,2,2-TrichloroethaneC2H3Cl3
  1791 1,2,3-TrichlorobenzeneC6H3Cl3
  1792 1,2,4-TrichlorobenzeneC6H3Cl3
  1793 1,3,5-TrichlorobenzeneC6H3Cl3
  1794 Trichloroacetaldehyde HC2OCl3
  1795 Trichlorofluoromethane (Geo)CFCl3
  1796 FluorotrichloromethaneCFCl3
  1797 1,1',2-Trichloro-1,2,2'-trifluoroethaneC2F3Cl3
  1798 Phosphorus oxychlorideOPCl3
  1799 Phosphorus oxychloride (Geo)OPCl3
  1800 SOCl3OSCl3
  1801 Carbon tetrachlorideCCl4
  1802 Carbon tetrachloride (Geo)CCl4
  1803 Tetrachloroethylene (Geo)C2Cl4
  1804 TetrachloroethyleneC2Cl4


ΔHf: -47.0 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  

Trichloroacetaldehyde
 H=-47.0 HR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53035557 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.75096911 +1  109.2257257 +1    0.0000000 +0     2     1     0
 Cl     1.75066559 +1  109.2585471 +1  120.2534987 +1     2     1     3
 Cl     1.75770114 +1  110.4706830 +1  119.8641928 +1     2     1     4
  O     1.19745362 +1  120.1032480 +1  -60.0238188 +1     1     2     3
  H     1.09881339 +1  116.6071804 +1  179.9907519 +1     1     2     6