Trichloroethenol | 3207-80-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: Trichloroethenol
• 英文别名: 1,2,2-Trichloroethenol
• CAS: 3207-80-5
• 化学式: C₂HCl₃O
• 分子量: 147.388
• InChiKey: YTVVMCAPXFAOCO-UHFFFAOYSA-N

物化性质

• 沸点：
  147.6±35.0 °C(Predicted)
• 密度：
  1.705±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  四氯乙烯 在 hydroxide 作用下， 以 gas 为溶剂， 27.9 ℃ 、559.95 Pa 条件下， 生成 盐酸 、 光气 、 二氯乙酰氯 、 Trichloroethenol 、 dichloromethyl radical
  参考文献：
  名称：

  The Reaction of OH Radicals with 1,1-di-, tri- and tetrachloroethylene

  摘要：

  AbstractThe kinetics and product formation of the homogeneous gas‐phase reactions of the OH radical with 1,1‐di‐, tri‐ and tetrachloroethylene were investigated at temperatures between 298–459 K, in the pressure range of 0.5–5.6 mbar. Measurements were made in a discharge‐flow apparatus, using helium as the carrier gas. The OH radical and the reaction products were detected by mass spectrometry. The rate constants were observed to be pressure independent in the case of 1,1‐di‐ and tetrachloroethylene but slightly pressure dependent in the case of trichloroethylene. The temperature dependencies can be expressed by the Arrhenius equation (in units of 1012 cm3 mol−1 s−1).k(T) = (0.136 ± 0.016) exp[(9.5 ± 0.4) kJ mol−1/RT] for 1,1‐dichloroethylene,k(T) = (0.470 ± 0.051) exp[(2.0 ± 0.5) kJ mol−1/RT] for trichloroethylene, andk(T) = (3.33 ± 0.19) exp[−(8.6 ± 0.1) kJ mol−1/RT] for tetrachloroethylene.The major products are: CH2OH — CCl2 for 1,1‐dichloroethylene; 2,2‐dichloroethenol and Cl for trichloroethylene; trichloroethenol, dichloroacetyl chloride, Cl, CHCl2 and phosgene for tetrachloroethylene.

  DOI：

  10.1002/bbpc.19900940116

文献信息

• The Reaction of OH Radicals with 1,1-di-, tri- and tetrachloroethylene
  作者：K. Kirchner、D. Helf、P. Ott、S. Vogt

  DOI：10.1002/bbpc.19900940116

  日期：1990.1

  AbstractThe kinetics and product formation of the homogeneous gas‐phase reactions of the OH radical with 1,1‐di‐, tri‐ and tetrachloroethylene were investigated at temperatures between 298–459 K, in the pressure range of 0.5–5.6 mbar. Measurements were made in a discharge‐flow apparatus, using helium as the carrier gas. The OH radical and the reaction products were detected by mass spectrometry. The rate constants were observed to be pressure independent in the case of 1,1‐di‐ and tetrachloroethylene but slightly pressure dependent in the case of trichloroethylene. The temperature dependencies can be expressed by the Arrhenius equation (in units of 1012 cm3 mol−1 s−1).k(T) = (0.136 ± 0.016) exp[(9.5 ± 0.4) kJ mol−1/RT] for 1,1‐dichloroethylene,k(T) = (0.470 ± 0.051) exp[(2.0 ± 0.5) kJ mol−1/RT] for trichloroethylene, andk(T) = (3.33 ± 0.19) exp[−(8.6 ± 0.1) kJ mol−1/RT] for tetrachloroethylene.The major products are: CH2OH — CCl2 for 1,1‐dichloroethylene; 2,2‐dichloroethenol and Cl for trichloroethylene; trichloroethenol, dichloroacetyl chloride, Cl, CHCl2 and phosgene for tetrachloroethylene.