Accuracy

2-iodopropane   5826 2-Iodopropane

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    #  Species Formula
  5816 Lithium iodideLiI
  5817 Beryllium iodide (Geo)BeI
  5818 Beryllium iodideBeI
  5819 Iodomethane (Geo)CH3I
  5820 Methyl iodideCH3I
  5821 IodoethaneC2H5I
  5822 3-Iodo-1-propeneC3H5I
  5823 E-1-Iodo-1-propeneC3H5I
  5824 Z-1-Iodo-1-propeneC3H5I
  5825 1-IodopropaneC3H7I
  5826 2-Iodopropane C3H7I
  5827 1-Butyl iodideC4H9I
  5828 2-Iodo-2-methylpropaneC4H9I
  5829 tert-Butyl iodideC4H9I
  5830 Iodobenzene (Geo)C6H5I
  5831 IodobenzeneC6H5I
  5832 IodocyclohexaneC6H11I
  5833 Benzyl iodideC7H7I
  5834 m-IodotolueneC7H7I
  5835 o-IodotolueneC7H7I
  5836 ortho IodotolueneC7H7I


ΔHf: -9.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 9.4 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
2-Iodopropane
 HR=C&P1970 H=-9.8 I=9.4 IR=LLNBS82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52062767 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52018436 +1  111.2778366 +1    0.0000000 +0     1     2     0
  I     2.19787018 +1  109.9340143 +1 -122.1469368 +1     1     2     3
  H     1.11099155 +1  110.8605660 +1  123.8315132 +1     1     2     3
  H     1.09789655 +1  112.8769672 +1  179.3338213 +1     2     1     3
  H     1.09801755 +1  112.8597573 +1 -179.2747051 +1     3     1     2
  H     1.09990045 +1  110.2847638 +1  -61.5342715 +1     2     1     3
  H     1.09803462 +1  112.7013403 +1   57.6207141 +1     2     1     3
  H     1.09994722 +1  110.2970515 +1   61.5824278 +1     3     1     2
  H     1.09814380 +1  112.7152849 +1  -57.5967197 +1     3     1     2