2,4-hexadiynyl radical

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 2,4-hexadiynyl radical
• 英文别名: CH3-CC-CC-CH2
• 化学式: C₆H₅
• 分子量: 77.1057
• InChiKey: TZTSOMWOQWNAND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  甲醇 、 2,4-己二炔 生成 methoxonium ion 、 2,4-hexadiynyl radical
  参考文献：
  名称：

  Endothermic proton transfer reactions from three [C6H6]+˙ isomers

  摘要：

  AbstractA triple quadrupole mass spectrometer was used to establish the proton affinities of phenyl, CH3CCCCCH3 and HCCCH2CCCH radicals as 870±29, 824±25, and 757±21 kJmol−1, respectively, from the kinetic energy of benzene, 2,4‐hexadiyne, and 1.5‐hexadiyne molecular ions at which the onset of proton transfer to less basic species occurs in the second rod assembly. These values were confirmed by other triple quadrupole experiments involving bracketing of exothermic proton transfers.

  DOI：

  10.1002/oms.1210221204

文献信息

• Endothermic proton transfer reactions from three [C6H6]+˙ isomers
  作者：Michael T. Kinter、Maurice M. Bursey

  DOI：10.1002/oms.1210221204

  日期：1987.12

  AbstractA triple quadrupole mass spectrometer was used to establish the proton affinities of phenyl, CH3CCCCCH3 and HCCCH2CCCH radicals as 870±29, 824±25, and 757±21 kJmol−1, respectively, from the kinetic energy of benzene, 2,4‐hexadiyne, and 1.5‐hexadiyne molecular ions at which the onset of proton transfer to less basic species occurs in the second rod assembly. These values were confirmed by other triple quadrupole experiments involving bracketing of exothermic proton transfers.