Accuracy

iodocyclohexane   5832 Iodocyclohexane

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

    

    #  Species Formula
  5822 3-Iodo-1-propeneC3H5I
  5823 E-1-Iodo-1-propeneC3H5I
  5824 Z-1-Iodo-1-propeneC3H5I
  5825 1-IodopropaneC3H7I
  5826 2-IodopropaneC3H7I
  5827 1-Butyl iodideC4H9I
  5828 2-Iodo-2-methylpropaneC4H9I
  5829 tert-Butyl iodideC4H9I
  5830 Iodobenzene (Geo)C6H5I
  5831 IodobenzeneC6H5I
  5832 Iodocyclohexane C6H11I
  5833 Benzyl iodideC7H7I
  5834 m-IodotolueneC7H7I
  5835 o-IodotolueneC7H7I
  5836 ortho IodotolueneC7H7I
  5837 p-IodotolueneC7H7I
  5838 1-IodonaphthaleneC10H7I
  5839 2-IodonaphthaleneC10H7I
  5840 Cyanogen iodideCNI
  5841 Li(I)N3I (JEPRUR) (Geo)H15LiC15N3I
  5842 Li(I)N3I (JEPRUR)H15LiC15N3I


ΔHf: -11.9 kcal/mol,     REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
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.
  
 PM7
Iodocyclohexane
 HR=CATCH H=-11.94 I=8.91 IR=LLNBS82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52925175 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53718013 +1  109.1333268 +1    0.0000000 +0     2     1     0
  C     1.53358117 +1  110.6784982 +1   57.3917519 +1     3     2     1
  C     1.53317547 +1  110.6444708 +1  -56.8656399 +1     4     3     2
  C     1.52872696 +1  111.0927062 +1  -59.6612983 +1     1     2     3
  I     2.19337627 +1  110.1897890 +1  177.8056335 +1     1     2     3
  H     1.11069697 +1  110.5067808 +1   63.4266557 +1     1     2     3
  H     1.10690824 +1  111.4591828 +1 -121.1475835 +1     2     1     3
  H     1.10776733 +1  111.1209648 +1  120.8462913 +1     2     1     3
  H     1.10617523 +1  109.7247538 +1  179.0727328 +1     3     2     1
  H     1.10594233 +1  110.2141708 +1  -64.6925122 +1     3     2     1
  H     1.10597596 +1  110.0591288 +1 -178.7782569 +1     4     3     2
  H     1.10649858 +1  109.9849340 +1   64.9071851 +1     4     3     2
  H     1.10576972 +1  110.2470603 +1  178.9753038 +1     5     4     3
  H     1.10629757 +1  110.0538144 +1  -64.5606357 +1     5     4     3
  H     1.10673524 +1  111.5822490 +1 -178.7799879 +1     6     1     2
  H     1.10786295 +1  111.1705180 +1  -60.6834214 +1     6     1     2