Accuracy

1,2-chloroiodoethane   1928 1,2-Chloroiodoethane

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

    

    #  Species Formula
  1918 4-Iodobenzoic acidC7H5O2I
  1919 Iodine fluoride (Geo)FI
  1920 Iodine fluorideFI
  1921 Trifluoroiodomethane (Geo)CF3I
  1922 TrifluoroiodomethaneCF3I
  1923 1,1,1-Trifluoro-2-iodoethaneC2H2F3I
  1924 Iodine pentafluoride (Geo)F5I
  1925 Iodine pentafluorideF5I
  1926 PentafluoroiodobenzeneC6F5I
  1927 Iodomethyl methyl sulfideC2H5SI
  1928 1,2-Chloroiodoethane C2H4ClI
  1929 1-Chloro-4-iodobutadieneC4H4ClI
  1930 1-Bromo-4-iodobutadieneC4H4BrI
  1931 1-Bromo-4-iodobutadiene (Geo)C4H4BrI
  1932 Diiodomethane (Geo)CH2I2
  1933 DiiodomethaneCH2I2
  1934 DiiodoacetyleneC2I2
  1935 E-1,2-Diiodoethylene (Geo)C2H2I2
  1936 Z-1,2-Diiodoethylene (Geo)C2H2I2
  1937 E-1,2-DiiodoetheneC2H2I2
  1938 Z-1,2-DiiodoetheneC2H2I2


ΔHf: -11.4 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  

1,2-Chloroiodoethane
 H=-11.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.10503353 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.10506617 +1  107.7622841 +1    0.0000000 +0     1     2     0
  C     1.50877086 +1  112.2293068 +1 -124.0616656 +1     1     2     3
  I     2.16514863 +1  106.5101444 +1 -121.9416681 +1     1     2     4
  H     1.10469417 +1  113.9350456 +1  179.6749542 +1     4     1     2
  H     1.10489998 +1  113.8357517 +1  125.5322446 +1     4     1     6
 Cl     1.78087137 +1  106.9912310 +1  117.0480108 +1     4     1     7