but-2-yne | 180281-14-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: but-2-yne
• CAS: 180281-14-5；64235-83-2
• 化学式: C₄H₅
• 分子量: 53.0837
• InChiKey: RJGIRBTZKPMLRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 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：

  乙炔 以 gaseous matrix 为溶剂， 生成 buta-1->3,3-dienylium 、 cyclopropenyl cation 、 but-2-yne 、 、 methylcyclopropenyl cation
  参考文献：
  名称：

  The dissociative recombination of hydrocarbon ions. II. Alkene and alkyne derived species

  摘要：

  Dissociative recombination reactions of a number of cyclic ions, derived from ion-molecule reactions involving acetylene as parent molecule and of protonated butane derived from reactions involving ethylene have been studied. It is found that the recombination rate coefficient does not seem to be much affected by the substitution of functional groups for hydrogen atoms in the cyclic cases. Also, protonated butane has a rate coefficient very similar to that for protonated methane.

  DOI：

  10.1063/1.476135

文献信息

• The dissociative recombination of hydrocarbon ions. II. Alkene and alkyne derived species
  作者：C. Rebrion-Rowe、L. Lehfaoui、B. R. Rowe、J. B. A. Mitchell

  DOI：10.1063/1.476135

  日期：1998.5

  Dissociative recombination reactions of a number of cyclic ions, derived from ion-molecule reactions involving acetylene as parent molecule and of protonated butane derived from reactions involving ethylene have been studied. It is found that the recombination rate coefficient does not seem to be much affected by the substitution of functional groups for hydrogen atoms in the cyclic cases. Also, protonated butane has a rate coefficient very similar to that for protonated methane.