Accuracy

acetyl chloride   1692 Acetyl chloride

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

    

    #  Species Formula
  1682 1-ChloronaphthaleneC10H7Cl
  1683 2-ChloronaphthaleneC10H7Cl
  1684 Cyanogen Chloride (Geo)CNCl
  1685 Cyanogen chlorideCNCl
  1686 Cyanogen chloride (Geo)CNCl
  1687 3-Chloro-4-methylanilineC7H8NCl
  1688 Chlorine oxideOCl
  1689 Chlorine monoxide (Geo)OCl
  1690 Hypochlorous acidHOCl
  1691 Carbonyl chloride (COCl)COCl
  1692 Acetyl chloride C2H3OCl
  1693 Acetyl chloride (Geo)C2H3OCl
  1694 3-ChlorophenolC6H5OCl
  1695 4-ChlorophenolC6H5OCl
  1696 2-ChlorobenzaldehydeC7H5OCl
  1697 Benzoyl chlorideC7H5OCl
  1698 Nitrosyl chlorideNOCl
  1699 NOCl (Geo)NOCl
  1700 Chlorine dioxideO2Cl
  1701 Chloroacetic acidC2H3O2Cl
  1702 2-Chlorobenzoic acidC7H5O2Cl


ΔHf: -58.0 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  

Acetyl chloride
 H=-58 HR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.47391543 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.18398285 +1  131.0396859 +1    0.0000000 +0     2     1     0
 Cl     1.78553200 +1  111.7169007 +1  179.9814776 +1     2     1     3
  H     1.10584270 +1  111.9723687 +1  120.9001301 +1     1     2     3
  H     1.10572396 +1  111.9705283 +1  119.0339466 +1     1     2     5
  H     1.10384977 +1  111.6659941 +1  120.6080650 +1     1     2     6