Ethyldioxy, 1,1,2,2-tetrafluoro- | 145252-03-5

• 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: Ethyldioxy, 1,1,2,2-tetrafluoro-
• CAS: 145252-03-5
• 化学式: C₂HF₄O₂
• 分子量: 133.022
• InChiKey: RWEHSJHPVKYKJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.21
• 重原子数：
  8.0
• 可旋转键数：
  2.0
• 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：

  Ethyldioxy, 1,1,2,2-tetrafluoro- 以 gas 为溶剂， 生成 氟光气 、
  参考文献：
  名称：

  1,298,2-四氟乙烷过氧自由基在298 K时的紫外吸收光谱，动力学和自反应机理

  摘要：

  The ultraviolet absorption spectrum and kinetics and mechanism of the self-reaction of CHF2CF2O2 radicals have been studied in the gas phase at 298 K. Two techniques were used: pulse radiolysis UV absorption to measure the spectrum and kinetics and long-path-length Fourier transform infrared spectroscopy (FTIR) to identify and quantify the reaction products. Absorption cross sections were quantified over the wavelength range 220-270 nm. At 230 nm, sigma(CHF2CF2O2) = (3.2 +/- 0.5) X 10(-18) cm2 molecule-1. Errors are statistical (2 standard deviations) plus our estimate of potential systematic uncertainty (15%). This absorption cross section was used to derive the observed self-reaction rate constant for the reaction CHF2CF2O2 + CHF2CF2O2 --> products (1), defined as -d[CHF2CF2O2]/dt = 2k(lobs)[CHF2CF2O2]2. k(l,obs) = (2.7 +/- 0.6) x 10(-12) cm3 molecule-1 s-1 (errors are 2 standard deviations). Measured UV transients were not corrected for possible complications caused by formation of CHF2O2 and HO2 radicals. Hence, k(l,obs) may not be the true bimolecular rate constant for reaction 1. The only carbon-containing product observed by FTIR spectroscopy was COF2. The carbon balance was, within our experimental uncertainty, 100%. As part of this work, a rate constant of (1.9 +/- 0.2) x 10(-15) cm3 molecule-1 s-1 was measured for the reaction of Cl atoms with CHF2CHF2 using a relative rate technique. Results are discussed with respect to the atmospheric chemistry of haloalkanes.

  DOI：

  10.1021/j100205a050