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110 Diacetylene

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  #           Species Formula
  100 Propene (Geo)C3H6
  101 i-Propyl radicalC3H7
  102 PropaneC3H8
  103 Propane (Geo)C3H8
  104 Isopropyl lithiumC3H7Li
  105 Isopropyl lithium (Geo)C3H7Li
  106 Trimethyborane (Geo)C3H9B
  107 TrimethylboraneC3H9B
  108 Carbon, tetramerC4
  109 Diacetylene (Geo)C4H2
  110 Diacetylene C4H2
  111 CH2=C=C=CH2 (Geo)C4H4
  112 CH2=C=C=CH2C4H4
  113 Vinylacetylene (Geo)C4H4
  114 VinylacetyleneC4H4
  115 1,2-ButadieneC4H6
  116 1,3-ButadieneC4H6
  117 1-ButyneC4H6
  118 2-ButyneC4H6
  119 Bicyclobutane (Geo)C4H6
  120 BicyclobutaneC4H6



DHf: 113.0 kcal/mol,     REF: D. R. Stull, E. F. Westrum, Jr., G. C. Sinke, "The Chemical Thermodynamics of Organic Compounds," Wiley, New York, N.Y., 1969.
I.P.: 10.2 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.

  

Diacetylene
 I=10.17 IR=LLNBS82 H=113.0 HR=SWS1969
  C         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  C         1.20812338 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         1.36765887 +1  180.0000000 +0    0.0000000 +0    2    1    0       0.0000
  C         1.20812338 +1  180.0000000 +0    0.0000000 +0    3    2    1       0.0000
  H         1.03363651 +1  180.0000000 +0    0.0000000 +0    4    3    2       0.0000
  H         1.03363652 +1  179.9900000 +0    0.0000000 +0    1    2    3       0.0000