Accuracy

chloroacetylene   2337 Chloroacetylene

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    #  Species Formula
  2327 BH2ClH2BCl
  2328 BH2Cl (Geo)H2BCl
  2329 Chlorodiborane (Geo)H5B2Cl
  2330 ChloromethylidyneCCl
  2331 Chloromethylene (Geo)HCCl
  2332 ChloromethyleneHCCl
  2333 Chloromethane (Geo)CH3Cl
  2334 Methyl chlorideCH3Cl
  2335 CH3ClH(+)CH4Cl
  2336 Chloroacetylene (Geo)HC2Cl
  2337 Chloroacetylene HC2Cl
  2338 ChloroethyleneC2H3Cl
  2339 Chloroethane (Geo)C2H5Cl
  2340 ChloroethaneC2H5Cl
  2341 DimethylchloroboraneH6BC2Cl
  2342 2-ChloropropeneC3H5Cl
  2343 2-Chloropropene (Geo)C3H5Cl
  2344 1-ChloropropaneC3H7Cl
  2345 1-Chloropropane (Geo)C3H7Cl
  2346 2-ChloropropaneC3H7Cl
  2347 2-Chloropropane (Geo)C3H7Cl


ΔHf: 51.1 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: 0.4 Debye,     REF: P. Scharffenberg, Theo. Chim. Acta 49, 115 (1978).
  
 PM7
Chloroacetylene
 H=51.1 HR=JANAF86 D=0.44 DR=S1978 S=57.84 CP=12.98
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.03052821 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.20892410 +1  180.0000000 +0    0.0000000 +0     2     1     0
 Cl     1.59756322 +1  180.0000000 +0    0.0000000 +0     3     2     1