1,1,1,4,4,5,5,6,6,7,7,8,8,8-Tetradecafluorooct-2-yne | 1535181-26-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 1,1,1,4,4,5,5,6,6,7,7,8,8,8-Tetradecafluorooct-2-yne
• CAS: 1535181-26-0
• 化学式: C₈F₁₄
• 分子量: 362.066
• InChiKey: VXSHCWRWDWWNHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  potassium cis-perfluorooct-1-enyltrifluoroborate 反应 1.5h， 生成 1H-Perfluorooct-1-ene 、 1,3,3,4,4,5,5,6,6,7,7,8,8,8-Tetradecafluorooct-1-yne 、 1,1,1,4,4,5,5,6,6,7,7,8,8,8-Tetradecafluorooct-2-yne 、 氟硼酸钾
  参考文献：
  名称：

  Thermoanalytical and preparative investigations of the decomposition of potassium perfluoroorganyl(fluoro)borate salts, K[RFBF3] (RF=perfluoroalkyl, -alkenyl, -alkynyl, and -aryl groups) and K[(RF)2BF2] (RF=C6F5 and C6F13)

  摘要：

  Potassium perfluoroalkenyl(fluoro)borates, K[RFBF3], (R-F = CF2=C(CF3), cis-CF3CF=CF, and cis-C6F13CF=CF) decomposed at 208-225 degrees C (T-max, dTG). The K[RFBF3] salts (R-F = C3F7, C6F13, trans-CF3CF=CF, and trans-C4F9CF=CF) decomposed at 273-312 degrees C (T-max, dTG). Both groups of salts formed volatile polyfluoroorganics and K[BF4] as solid residue. The preparative thermolysis of selected prototypical salts K[RFBF3] showed that the polyfluoroorganics consisted of a mixture of internal perfluorohexenes, C6F12, and 1-H-tridecafluorohexane, C6F13H, in case of K[C6F13BF3], and of perfluorooctynes, C8F14, and cis-C6F13CF=CFH in case of K[cis-C6F13CF=CFBF3]. The salts K[(C6F5)(2)BF2] and K[RFBF3] (R-F = CF3C C, CF3CF=CFC C, C6F5C C, C6F5, 2,3,5,6-C5NF4) decomposed in the temperature range 249-337 degrees C (T-max, dTG) and mainly resulted in non-volatile polyfluoroorganics besides K[BF4]. The reaction path of the thermolysis of perfluoroalkyl-, perfluoroalkenyl-, and perfluorophenyl-(fluoro)borates is discussed and compared with that of perfluorocarboxylates. (C) 2013 Published by Elsevier B.V.

  DOI：

  10.1016/j.jfluchem.2013.11.006