1, 1, 2, 2 - tetrafluorethyl | 109088-08-6

• 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: 1, 1, 2, 2 - tetrafluorethyl
• 英文别名: tetrafluoroethyl radical D
• CAS: 109088-08-6
• 化学式: C₂HF₄
• 分子量: 101.024
• InChiKey: QDKGHXJDPBHZHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,1,2,2-四氟乙烷 在 氯 作用下， 生成 1, 1, 2, 2 - tetrafluorethyl
  参考文献：
  名称：

  Reactions of ground state chlorine atoms with fluorinated methanes and ethanes

  摘要：

  The reactions of photochemically generated Cl(2PJ) atoms with a number of fluorohydrocarbons have been investigated in the temperature range 8–95 °C by the competitive photochlorination technique using CH4 as a primary standard. Relative and absolute rate parameters are reported for CH3F, CH2F2, CH3CH2F, CH2FCH2F, CH3CHF2, CH3CF3, CH2FCHF2, CHF2CHF2, and several auxiliary reactions including CH3Cl, C2H6, and C3H8. The internal competition for hydrogen abstraction in asymmetric fluorethanes is examined in detail. The reactivity trends are discussed and it is found that the activation energies in the fluoromethane series correlate with the known C–H bond dissociation energies. The hydrogen reactivity in the fluoroethane series for which a sufficient data base of DH°(C–H) values is not available is best rationalized in terms of inductive effects and resonance interactions.

  DOI：

  10.1063/1.448737

文献信息

• Ultraviolet absorption spectrum and kinetics and mechanism of the self-reaction of 1,1,2,2-tetrafluoroethaneperoxyl radicals in the gas phase at 298 K
  作者：Ole J. Nielsen、Thomas Ellermann、Jens Sehested、Timothy J. Wallington

  DOI：10.1021/j100205a050

  日期：1992.12

  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.