Accuracy

benzyl iodide   1903 Benzyl iodide

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    #  Species Formula
  1893 IodoethaneC2H5I
  1894 3-Iodo-1-propeneC3H5I
  1895 E-1-Iodo-1-propeneC3H5I
  1896 Z-1-Iodo-1-propeneC3H5I
  1897 1-IodopropaneC3H7I
  1898 2-IodopropaneC3H7I
  1899 1-Butyl iodideC4H9I
  1900 Iodobenzene (Geo)C6H5I
  1901 IodobenzeneC6H5I
  1902 IodocyclohexaneC6H11I
  1903 Benzyl iodide C7H7I
  1904 m-IodotolueneC7H7I
  1905 o-IodotolueneC7H7I
  1906 p-IodotolueneC7H7I
  1907 1-IodonaphthaleneC10H7I
  1908 2-IodonaphthaleneC10H7I
  1909 Cyanogen iodideCNI
  1910 Acetyl iodideC2H3OI
  1911 Iodomethyl methyl etherC2H5OI
  1912 1-Iodo-2-propanoneC3H5OI
  1913 3-Iodo-2-butanoneC4H7OI


ΔHf: 25.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 8.9 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY
Benzyl iodide
 H=25.1 HR=C&P1970 I=8.91 IR=LLNBS82
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.79041305 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     2     1     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     1     2     3
  C     1.39393172 +1   59.9811475 +1    0.0000000 +0     1     2     3
  C     1.39393172 +0   59.9811475 +0  180.0000000 +0     1     2     3
  C     1.39744063 +1   59.9149869 +1    0.0000000 +0     2     1     4
  C     1.39744063 +0   59.9149869 +0  180.0000000 +0     2     1     4
  H     1.08832522 +1   90.0000000 +0  180.0000000 +0     1     4     2
  H     1.08874067 +1  120.0014506 +1  180.0000000 +0     5     1     2
  H     1.08874067 +0  120.0014506 +0  180.0000000 +0     6     1     2
  H     1.08845270 +1  120.1445491 +1  180.0000000 +0     7     2     1
  H     1.08845270 +0  120.1445491 +0  180.0000000 +0     8     2     1
  C     1.48608274 +1   90.0000000 +0  180.0000000 +0     2     3     1
  H     1.10326625 +1  112.7756863 +1  151.2970062 +1    14     2     3
  I     2.17271170 +1  110.3031669 +1  -89.9451994 +1    14     2     3
  H     1.10327582 +1  112.7819158 +1   28.8242005 +1    14     2     3
 
   5  1    6
   5  2    6
   7  1    8
   7  2    8
  10  1   11
  10  2   11
  12  1   13
  12  2   13