Accuracy

carbonyl chloride   1762 Carbonyl chloride

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

    

    #  Species Formula
  1752 1,1-DichloroethaneC2H4Cl2
  1753 1,1-Dichloroethane (Geo)C2H4Cl2
  1754 trans-1,2-DichloroethaneC2H4Cl2
  1755 trans-1,2-Dichloroethane (Geo)C2H4Cl2
  1756 1,2-DichloropropaneC3H6Cl2
  1757 1,2-DichlorobenzeneC6H4Cl2
  1758 1,3-DichlorobenzeneC6H4Cl2
  1759 1,4-DichlorobenzeneC6H4Cl2
  1760 Chlorine monoxideOCl2
  1761 Cl2O (Geo)OCl2
  1762 Carbonyl chloride COCl2
  1763 Carbonyl chloride (Geo)COCl2
  1764 Cl2O2O2Cl2
  1765 Oxalyl chlorideC2O2Cl2
  1766 Oxalyl chloride (Geo)C2O2Cl2
  1767 1,1-Dichloro-1-nitro-propaneC3H5NO2Cl2
  1768 Chlorine heptoxideO7Cl2
  1769 1,1',2,2'-Tetranitro-1,2-dichloroethaneC2N4O8Cl2
  1770 1,3-Dichloro-1,1,3,3-tetranitropropaneC3H2N4O8Cl2
  1771 FluorodichloromethaneHCFCl2
  1772 Dichlorodifluoromethane (Geo)CF2Cl2


ΔHf: -52.6 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).
I.P.: 11.8 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
Carbonyl chloride
 H=-52.6 HR=JANAF86 I=11.84 IR=LLNBS82 S=67.75 CP=13.79
 
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.17935216 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.72618954 +1  123.7685943 +1    0.0000000 +0     2     1     0
 Cl     1.72618954 +1  123.7685943 +1  180.0000000 +1     2     1     3
 
   3  1    4
   3  2    4