Accuracy

bromoethylene   4114 Bromoethylene

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

    

    #  Species Formula
  4104 Hydrogen bromideHBr
  4105 Helium bromide anion (Geo)HeBr
  4106 Lithium bromide (Geo)LiBr
  4107 Lithium bromideLiBr
  4108 Beryllium bromideBeBr
  4109 Boron bromideBBr
  4110 BromomethaneCH3Br
  4111 Bromomethane (Geo)CH3Br
  4112 BromoacetyleneHC2Br
  4113 Bromoacetylene (Geo)HC2Br
  4114 Bromoethylene C2H3Br
  4115 BromoethaneC2H5Br
  4116 3-BromopropeneC3H5Br
  4117 1-BromopropaneC3H7Br
  4118 2-BromopropaneC3H7Br
  4119 BromobenzeneC6H5Br
  4120 1-BromonaphthaleneC10H7Br
  4121 2-BromonaphthaleneC10H7Br
  4122 1-Bromo-dodecaneC12H25Br
  4123 1-Bromo-hexadecaneC16H33Br
  4124 Cyanogen bromide (Geo)CNBr


ΔHf: 18.7 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.4 Debye,     REF: "CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
I.P.: 9.9 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
Bromoethylene
 H=18.71 HR=C&P1970 D=1.42 I=9.9 IR=LLNBS82 DR=CRC
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.32512921 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.08147789 +1  126.8032058 +1    0.0000000 +0     2     1     0
  H     1.08396055 +1  122.7180710 +1    0.0000000 +0     1     2     3
  H     1.08208890 +1  125.2032110 +1  180.0000000 +0     1     2     3
 Br     1.89999694 +1  121.2490578 +1    0.0000000 +0     2     1     5