1,1-dichloro-2-hydroxy-ethyl | 28213-60-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 英文名称: 1,1-dichloro-2-hydroxy-ethyl
• CAS: 28213-60-7
• 化学式: C₂H₃Cl₂O
• 分子量: 113.951
• InChiKey: URTIVAYTOZFBTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  1,1-二氯乙烯 在 hydroxide 作用下， 以 gas 为溶剂， 294.0 ℃ 、98.66 kPa 条件下， 生成 1,1-dichloro-2-hydroxy-ethyl
  参考文献：
  名称：

  Laser photolysis/laser-induced fluorescence studies of the reaction of hydroxyl with 1,1-dichloroethane over an extended temperature range

  摘要：

  Absolute rate coefficients are determined for the gas-phase reaction of OH radicals with 1,1-dichloroethane over an extended temperature range using a laser photolysis/laser-induced fluorescence technique. Experiments were performed in a flow system at a total pressure of 740 +/- 10 Torr using He as diluent and carrier gas. The rate coefficients, obtained over the temperature range 294-800 K, exhibited pronounced non-Arrhenius behavior and were best described by the modified Arrhenius equation k(T) = (8.29 +/- 0.36) X 10(-14)(T/300)2.67 exp{(378 +/- 18)/T} CM3 Molecule-1 s-1. Comparison of the data with one previous room-temperature measurement is presented. The temperature dependence of the data is compared with empirical and transition-state model calculations. The influence of C-H bond energy and Cl substitution is discussed.

  DOI：

  10.1021/j100201a049

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.
• Laser photolysis/laser-induced fluorescence studies of the reaction of hydroxyl with 1,1,1-trichloroethane over an extended temperature range
  作者：Zhen Jiang、Philip H. Taylor、Barry Dellinger

  DOI：10.1021/j100201a048

  日期：1992.10

  Absolute rate coefficients are determined for the gas-phase reaction of OH radicals with 1,1,1-trichloroethane over an extended temperature range. Employing a laser photolysis/laser-induced fluorescence technique, experiments were conducted with a flow system at a total pressure of 740 +/- 10 Torr using He as diluent and carrier gas. The rate coefficients, obtained over the temperature range 298-761 K, exhibited pronounced non-Arrhenius behavior and were best described by the modified Arrhenius equation k(T) = (3.95 +/- 0.78) X 10(-13)(T/300)2.08 exp(-1068 +/- 108)/T} CM3 Molecule-1 s-1. Comparison of the data with numerous lower temperature measurements is presented. The temperature dependence of the data is compared with empirical and transition-state model calculations. The reactivity of this compound with OH compared to other chlorinated ethanes at both lower and higher reaction temperatures is presented and discussed.
• Laser photolysis/laser-induced fluorescence studies of the reaction of hydroxyl with 1,1-dichloroethane over an extended temperature range
  作者：Zhen Jiang、Philip H. Taylor、Barry Dellinger

  DOI：10.1021/j100201a049

  日期：1992.10

  Absolute rate coefficients are determined for the gas-phase reaction of OH radicals with 1,1-dichloroethane over an extended temperature range using a laser photolysis/laser-induced fluorescence technique. Experiments were performed in a flow system at a total pressure of 740 +/- 10 Torr using He as diluent and carrier gas. The rate coefficients, obtained over the temperature range 294-800 K, exhibited pronounced non-Arrhenius behavior and were best described by the modified Arrhenius equation k(T) = (8.29 +/- 0.36) X 10(-14)(T/300)2.67 exp(378 +/- 18)/T} CM3 Molecule-1 s-1. Comparison of the data with one previous room-temperature measurement is presented. The temperature dependence of the data is compared with empirical and transition-state model calculations. The influence of C-H bond energy and Cl substitution is discussed.