Accuracy

3-chlorophenol   1694 3-Chlorophenol

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    #  Species Formula
  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 chlorideC2H3OCl
  1693 Acetyl chloride (Geo)C2H3OCl
  1694 3-Chlorophenol C6H5OCl
  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
  1703 3-Chlorobenzoic acidC7H5O2Cl
  1704 4-Chlorobenzoic acidC7H5O2Cl


ΔHf: -36.6 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  

3-Chlorophenol
 H=-36.6 HR=WHSMC03
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.08510111 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38919628 +1  121.8048014 +1    0.0000000 +0     2     1     0
  C     1.38666210 +1  123.2341882 +1 -179.9994857 +1     3     2     1
  C     1.39941783 +1  118.4480802 +1   -0.0102376 +1     4     3     2
  C     1.38845474 +1  120.7300130 +1    0.0098588 +1     5     4     3
  C     1.39677434 +1  121.6038973 +1 -179.9821007 +1     2     1     3
  O     1.35436712 +1  122.4449539 +1   -0.0323746 +1     7     2     1
 Cl     1.71143312 +1  118.0700897 +1  179.9943653 +1     3     2     4
  H     1.08812262 +1  121.3654900 +1  179.9934607 +1     4     3     5
  H     1.09117656 +1  119.4802583 +1 -179.9897230 +1     5     4     6
  H     1.08784069 +1  121.7334877 +1 -179.9883212 +1     6     5     4
  H     0.98925326 +1  112.5001849 +1   -0.0093309 +1     8     7     2