Perfluormethyl-perfluorethyl-trioxid | 17610-65-0

• 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
• 英文名称: Perfluormethyl-perfluorethyl-trioxid
• CAS: 17610-65-0
• 化学式: C₃F₈O₃
• 分子量: 236.018
• InChiKey: PBUNQZWBTRYLNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  sodium 2,2,2-trifluoroacetate 在 fluorine 作用下， 生成 Perfluormethyl-perfluorethyl-trioxid
  参考文献：
  名称：

  Bis(perfluoroalkyl) trioxides

  摘要：

  DOI：

  10.1021/ja00993a012

文献信息

• Fluorine-atom initiated oxidation of CF3CF2H (HFC-125) studied by FTIR spectroscopy: product yields and kinetic modelling
  作者：Alam S. Hasson、Christopher M. Moore、Ian W. M. Smith

  DOI：10.1039/a702105d

  日期：——

  A comprehensive study has been carried out of the oxidation of CF 3 CF 2 H (HFC-125). Reaction was initiated by continuous photolysis of F 2 in the near-UV. The F atoms produced abstracted a hydrogen atom from CF 3 CF 2 H initiating oxidation in gas mixtures containing variable amounts of O 2 and made up to a total pressure of 700 Torr with N 2 . Product yields were measured as a function of time using FTIR spectroscopy. Experiments were performed at room temperature and in mixtures containing different ratios of [F 2 ] to [CF 3 CF 2 H]. The major products were COF 2 , CF 3 O 3 CF 3 and CF 3 O 3 C 2 F 5 , consistent with C–C bond scission being the dominant loss process for CF 3 CF 2 O radicals and with previous studies which used chlorine atoms toinitiate oxidation. Attempts to match the experimental results with predictions using the FACSIMILE chemical modelling pro-gram were moderately successful and confirmed recent results regarding the equilibrium constant for: F+O 2 (+M)=FO 2 (+M).

  对此进行了全面的研究 CF的氧化 3 CF 2 H (HFC-125)。 反应是通过连续光解引发的 F 2 在近紫外区。产生的F原子 从中提取一个氢原子 CF 3 CF 2 H 在气体中引发氧化 含有不同量 O 的混合物 2 和 用 N 达到 700 Torr 的总压力 2 。 使用以下方法测量产品产量作为时间的函数 FTIR 光谱。实验在房间进行 温度和含有不同比例的混合物 [F 2 ] 至 [CF 3 CF 2 H]。这 主要产品为COF 2 , CF 3 氧 3 CF 3 和 CF 3 氧 3 C 2 F 5 , 与 C-C 键断裂占主导地位一致 CF的丢失过程 3 CF 2 O 自由基和 之前的研究使用氯原子来引发 氧化。尝试将实验结果与 使用 FACSIMILE 化学建模程序进行预测 取得了一定的成功并证实了最近的结果 关于平衡常数： F+O 2 (+M)=FO 2 （+M）。
• Atmospheric Chemistry of HFC-236cb: Spectrokinetic Investigation of the CF3CF2CFHO2 Radical, Its Reaction with NO and NO2, and the Fate of the CF3CF2CFHO Radical
  作者：Trine E. Mogelberg、Anders Feilberg、Anders M. B. Giessing、Jens Sehested、Merete Bilde、Timothy J. Wallington、Ole J. Nielsen

  DOI：10.1021/j100048a013

  日期：1995.11

  A pulse radiolysis technique was used to study the UV absorption spectrum of CF3CF2CFHO2 radicals (at 250 nm sigma = (175 +/- 36) x 10(-20) cm(2) molecule(-1)). The observed bimolecular rate constant for the self reaction of CF3CF2CFHO2 radicals was k(13obs) = (5.2 +/- 1.4) x 10(-12) cm(3) molecule(-1) s(-1). Rate constants for reactions of CF3CF2CFHO2 radicals with NO and NO2 were k(3) > 8 x 10(-12) and k(4) = (6.3 +/- 0.7) x 10(-12) cm(3) molecule(-1) s(-1), respectively. Using a FTIR spectrometer/smog chamber technique it was shown that, under atmospheric conditions, reaction with O-2 and decomposition via C-C bond scission are competing loss mechanisms for CF3CF2CFHO radicals. A lower limit of 10(5) s(-1) was deduced for the rate of decomposition of CF3CF2CFHO radicals via C-C bond scission at 296 K in 1 bar of SF6 diluent. It is estimated that in the atmosphere approximately 98% of CF3CF2CFHO radicals will undergo decomposition into C2F5 radicals and HC(O)F and 2% will react with O-2 to give C2F5C(O)F. As part of this work relative rate methods were used to measure rate constants of(1.3 +/- 0.3) x 10(-12) and (1.5 +/- 0.3) x 10(-15) cm(3) molecule(-1) s(-1) for the reactions of CF3CF2CFH2 with F and Cl atoms, respectively.
• UV absorption spectrum, and kinetics and mechanism of the self reaction of CF3CF2O2 radicals in the gas phase at 295 K
  作者：Jens Sehested、Thomas Ellermann、Ole John Nielsen、Timothy J. Wallington、Michael D. Hurley

  DOI：10.1002/kin.550250903

  日期：1993.9

  AbstractThe ultraviolet absorption spectrum, kinetics, and mechanism of the self reaction of CF3CF2O2 radicals have been studied in the gas phase at 295 K. Two techniques were used; pulse radiolysis UV absorption to measure the spectrum and kinetics, and long‐path length FTIR spectroscopy to identify and quantify the reaction products. Absorption cross sections were quantified over the wavelength range 220–270 nm. At 230 nm, σ = (2.74 ± 0.46) ×10−18 cm2 molecule−1. This absorption cross section was used to derive the observed self reaction rate constant for reaction (1), defined as, −d[CF3CF2O2]/dt = 2k1obs[CF3CF2O2]2: equation image k1obs = (2.10 ± 0.38) ×10−12 cm3 molecule−1 s−1 (2σ).The observed products following the self reaction of CF3CF2O2 radicals were COF2, CF3O3CF3, CF3O3C2F5, and CF3OH. CF3O2CF3 was tentatively identified as a product. The carbon balance was 90–100%. The self reaction of CF3CF2O2 radicals was found to proceed via one channel to produce CF3CF2O radicals which then decompose to give CF3 radicals and COF2. In the presence of O2, CF3 radicals are converted into CF3O radicals. CF3O radicals have several fates; self reaction to give CF3O2CF3; reaction with CF3O2 radicals to give CF3O3CF3; reaction with C2F5O2 radicals to give CF3O3C2F5; or reaction with CF3CF2H to give CF3OH. As part of this work a rate constant of (2.5 ± 0.6) ×10−16 cm3 molecule−s−1 was measured for the reaction of Cl atoms with CF3CHF2 using a relative rate technique. Results are discussed with respect to the atmospheric chemistry of CF3CF2H (HFC‐125). © 1993 John Wiley & Sons, Inc.