Accuracy

methyl chloride   1661 Methyl chloride

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

   

    #  Species Formula
  1651 3H-1,2-Benzodithiole-3-thioneC7H4S3
  1652 4,5-Tetramethylene-1,3-dithiol-2-thioneC7H8S3
  1653 Hydrogen tetrasulfideH2S4
  1654 Hydrogen pentasulfideH2S5
  1655 Hydrogen chloride (Geo)HCl
  1656 Hydrogen chlorideHCl
  1657 ChloromethylidyneCCl
  1658 Chloromethylene (Geo)HCCl
  1659 ChloromethyleneHCCl
  1660 Chloromethane (Geo)CH3Cl
  1661 Methyl chloride CH3Cl
  1662 CH3ClH(+)CH4Cl
  1663 Chloroacetylene (Geo)HC2Cl
  1664 ChloroacetyleneHC2Cl
  1665 ChloroethyleneC2H3Cl
  1666 Chloroethane (Geo)C2H5Cl
  1667 ChloroethaneC2H5Cl
  1668 2-ChloropropeneC3H5Cl
  1669 2-Chloropropene (Geo)C3H5Cl
  1670 1-ChloropropaneC3H7Cl
  1671 1-Chloropropane (Geo)C3H7Cl


ΔHf: -20.0 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 1.9 Debye,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
I.P.: 11.3 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.
  
 SYMMETRY
Methyl chloride
 H=-20.00 HR=JANAF86 I=11.3 IR=LLNBS82 D=1.89 DR=WHSMC03 S=56.07 CP=9.75
 
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.76927586 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09220841 +1  108.2538077 +1    0.0000000 +0     2     1     0
  H     1.09220841 +1  108.2538077 +1  120.0000000 +1     2     1     3
  H     1.09220841 +1  108.2538077 +1 -120.0000000 +1     2     1     3
 
   3  1    4    5
   3  2    4    5