Accuracy

iodoethane   1893 Iodoethane

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

    

    #  Species Formula
  1883 2,4,6-TribromoanilineC6H4NBr3
  1884 Phosphorus oxybromideOPBr3
  1885 Phosphorus oxybromide (Geo)OPBr3
  1886 Carbon tetrabromide (Geo)CBr4
  1887 Tetrabromoethylene (Geo)C2Br4
  1888 HexabromoethaneC2Br6
  1889 Hydrogen iodide (Geo)HI
  1890 Hydrogen iodideHI
  1891 Iodomethane (Geo)CH3I
  1892 Methyl iodideCH3I
  1893 Iodoethane C2H5I
  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 iodideC7H7I


ΔHf: -2.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.9 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 9.3 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.
  
 NOINTER NOXYZ
Iodoethane
 HR=C&P1970 I=9.34 IR=LLNBS82 D=1.91 H=-2. DR=NLM1967 S=73.13 CP=15.99
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51573456 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09831281 +1  112.7440574 +1    0.0000000 +0     2     1     0
  H     1.09854896 +1  112.6984190 +1  121.4731401 +1     2     1     3
  H     1.09961207 +1  110.4379518 +1 -119.3397998 +1     2     1     3
  H     1.10186014 +1  111.6795963 +1   58.6484917 +1     1     2     3
  H     1.10185403 +1  111.6794254 +1 -179.6096294 +1     1     2     3
  I     2.16921128 +1  112.2033687 +1  -60.4858424 +1     1     2     3