| 147703-40-0

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• CAS: 147703-40-0
• 化学式: C₂ClF₄O₂
• 分子量: 167.467
• InChiKey: JDJWQLXUVWCSND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.77
• 重原子数：
  9.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.13
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  在 氧化亚氮 作用下， 24.9 ℃ 、1.33 kPa 条件下， 生成 C₂ClF₄O
  参考文献：
  名称：

  Temperature Dependence of the Reaction of CF3CFClO2 Radicals with NO and the Unimolecular Decomposition of the CF3CFClO Radical

  摘要：

  Absolute rate coefficients for the reaction CF3CFClO2 + NO --> CF3CFClO + NO2 were determined over the temperature range 273-342 K. CF3CFClO2 radicals were generated by flash photolysis of CF3CFHCl/O-2/ Cl-2/N-2 mixtures, and the kinetics were investigated by monitoring the growth rate of the NO2+ molecular ion by quadrupole mass spectrometry. The temperature dependence of the reaction rate coefficient can be expressed as k = (7.40 +/- 1.42) X e([(274.0+/-32.47)/T]) X 10(-12) s(-1) or k = (1.83 +/- 0.09) X (T/300)(-[0.91+/-0.09)] X 10(-11) cm(3) molecule(-1) s(-1). The rate constant was independent of pressure in the range 10-25 Torr. Measurement of the NO2 yield indicated that the CF3CFClO radical decomposes by Cl atom elimination, CF3CFClO --> CF3CFO + Cl, on a time scale that is comparable to or shorter than the millisecond observation times of these experiments.

  DOI：

  10.1021/j100049a017
• 作为产物：
  描述：

  氯四氟乙烷 在 氧气 作用下， 生成
  参考文献：
  名称：

  UV absorption spectrum of CF3CFClO2 and kinetics of the self reaction of CF3CFCl and CF3CFClO2 and the reactions of CF3CFClO2 with NO and NO2

  摘要：

  AbstractThe ultraviolet absorption spectrum of CF3CFClO2 and the kinetics of the self reactions of CF3CFCl and CF3CFClO2 radicals and the reactions of CF3CFClO2 with NO and NO2 have been studied in the gas phase at 295 K by pulse radiolysis/transient UV absorption spectroscopy. The UV absorption cross section of CF3CFCl radicals was measured to be (1.78 ± 0.22) × 10−18 cm2 molecule−1 at 220 nm. The UV spectrum of CF3CFClO2 radicals was quantified from 220 nm to 290 nm. The absorption cross section at 250 nm was determined to be (1.67 ± 0.21) × 10−18 cm2 molecule−1. The rate constants for the self reactions of CF3CFCl and CF3CFClO2 radicals were (2.6 ± 0.4) × 10−12 cm3 molecule−1 s−1 and (2.6 ± 0.5) × 10−12 cm3 molecule−1 s−1, respectively. The reactivity of CF3CFClO2 radicals towards NO and NO2 was determined to (1.5 ± 0.6) × 10−11 cm3 molecule−1 s−1 and (5.9 ± 0.5) × 10−12 cm3 molecule−1 s−1, respectively. Finally, the rate constant for the reaction of F atoms with CF3CFClH was determined to (8 ± 2) × 10−13 cm3 molecule−1 s−1. Results are discussed in the context of the atmospheric chemistry of HCFC‐124, CF3CFClH. © 1994 John Wiley & Sons, Inc.

  DOI：

  10.1002/kin.550261007