Accuracy

benzoyl chloride   1697 Benzoyl chloride

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    #  Species Formula
  1687 3-Chloro-4-methylanilineC7H8NCl
  1688 Chlorine oxideOCl
  1689 Chlorine monoxide (Geo)OCl
  1690 Hypochlorous acidHOCl
  1691 Carbonyl chloride (COCl)COCl
  1692 Acetyl chlorideC2H3OCl
  1693 Acetyl chloride (Geo)C2H3OCl
  1694 3-ChlorophenolC6H5OCl
  1695 4-ChlorophenolC6H5OCl
  1696 2-ChlorobenzaldehydeC7H5OCl
  1697 Benzoyl chloride C7H5OCl
  1698 Nitrosyl chlorideNOCl
  1699 NOCl (Geo)NOCl
  1700 Chlorine dioxideO2Cl
  1701 Chloroacetic acidC2H3O2Cl
  1702 2-Chlorobenzoic acidC7H5O2Cl
  1703 3-Chlorobenzoic acidC7H5O2Cl
  1704 4-Chlorobenzoic acidC7H5O2Cl
  1705 Nitryl chlorideNO2Cl
  1706 NO2Cl (Geo)NO2Cl
  1707 O3ClO3Cl


ΔHf: -26.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
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.
  

Benzoyl chloride
 H=-26.1 HR=C&P1970 I=9.9 IR=LLNBS82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.78671920 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39401578 +1   59.9505539 +1    0.0000000 +0     1     2     0
  C     1.39537568 +1   60.1384684 +1  179.9705163 +1     1     2     3
  C     1.39349021 +1  120.2335942 +1   -0.0844227 +1     3     1     2
  C     1.39097192 +1  119.9948091 +1   -0.1505067 +1     4     1     2
  H     1.09011452 +1  179.9293378 +1  -69.3455965 +1     1     2     3
  H     1.08952996 +1  119.9735289 +1  179.9571371 +1     3     1     2
  H     1.08939783 +1  120.0108085 +1  179.9829491 +1     4     1     2
  H     1.09300719 +1  119.2225682 +1  179.7571788 +1     5     3     1
  H     1.09341992 +1  120.2398949 +1 -179.5367960 +1     6     4     1
  C     1.45945275 +1  176.7109733 +1 -166.4415562 +1     2     1     3
  O     1.18798630 +1  129.2773735 +1 -160.1585867 +1    12     2     5
 Cl     1.77890917 +1  114.2290750 +1   21.1117640 +1    12     2     5