trifluoro-acetyloxyl | 16040-26-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: trifluoro-acetyloxyl
• CAS: 16040-26-9
• 化学式: C₂F₃O₂
• 分子量: 113.016
• InChiKey: SNOFKGQEUYMNCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  7
• 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：
  18.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  三氟乙酸 在 hydroxide 作用下， 生成 trifluoro-acetyloxyl
  参考文献：
  名称：

  Atmospheric chemistry of CF3COOH. Kinetics of the reaction with OH radicals

  摘要：

  Two different experimental techniques were used to study the kinetics of the reaction of OH radicals with trifluoroacetic acid, CF3COOH. Using a pulse radiolysis absolute rate technique, rate constants at 315 and 348 K were determined to be (1.6 +/- 0.4) x 10(-13) and (1.5 +/- 0.2) x 10(-13) cm3 molecule-1 s-1, respectively. Using a long path-length FTIR relative rate technique a rate constant of (1.7 +/- 0.5) x 10(-13) cm3 molecule-1 s-1 was obtained at 296 K. In the atmosphere, reaction with OH radicals in the gas phase is estimated to account for 10%-20% of the loss of CF3COOH. The major fate of CF3COOH is rainout.

  DOI：

  10.1016/0009-2614(94)00692-x

文献信息

• The CF₃C(O)O₂ Radical. Its UV Spectrum, Self-Reaction Kinetics, and Reaction with NO
  作者：M. Matti Maricq、Joseph J. Szente、Gregory A. Khitrov、Joseph S. Francisco

  DOI：10.1021/jp9532935

  日期：1996.1.1

  Flash photolysis combined with time-resolved UV spectroscopy and transient infrared absorption is used to investigate the reactions of CF3C(O)O2 with itself, CF3O2, and nitric oxide. The UV spectrum of CF3C(O)O2 exhibits two bands, the stronger short wavelength component of which has a maximum cross section of 7.1 × 10-18 cm2 at 207 nm. These bands are used to monitor the disappearance of CF3C(O)O2

  闪光光解结合时间分辨紫外光谱和瞬态红外吸收用于研究CF 3 C（O）O 2与其自身，CF 3 O 2和一氧化氮的反应。CF 3 C（O）O 2的紫外光谱显示两个波段，其中较强的短波分量在207 nm处的最大横截面为7.1×10 -18 cm 2。这些频带被用于监测CF消失3 C（O）O 2和次级CF的形成3 ö 2，得到的自反应速率常数 ×10 -12  ë（270±200）/ T cm 3 s -1。发现CF 3 C（O）O 2和CF 3 O 2之间的交叉反应缓慢，速率常数≤2×10 -12 cm 3 s -1。瞬态红外监测NO的损失和随之而来的NO 2的形成导致CF 3 C（O）O 2与CF 3 C（O）O 2之间的反应速率常数为 ×10 -12  e （563±115）/ T cm 3 s -1。不。该结果暗示CF 3 C（O）O作为氢氟碳化合物（HFCs）大气降解过程中的中间体形成的2个自由基迅速转化为CF
• Arthur, Neville L.; David, Lennie F., Australian Journal of Chemistry, 1981, vol. 34, # 7, p. 1535 - 1538
  作者：Arthur, Neville L.、David, Lennie F.

  DOI：——

  日期：——
• Atmospheric chemistry of CF3COOH. Kinetics of the reaction with OH radicals
  作者：Trine E. Møgelberg、Ole J. Nielsen、Jens Sehested、Timothy J. Wallington、Michael D. Hurley

  DOI：10.1016/0009-2614(94)00692-x

  日期：1994.8

  Two different experimental techniques were used to study the kinetics of the reaction of OH radicals with trifluoroacetic acid, CF3COOH. Using a pulse radiolysis absolute rate technique, rate constants at 315 and 348 K were determined to be (1.6 +/- 0.4) x 10(-13) and (1.5 +/- 0.2) x 10(-13) cm3 molecule-1 s-1, respectively. Using a long path-length FTIR relative rate technique a rate constant of (1.7 +/- 0.5) x 10(-13) cm3 molecule-1 s-1 was obtained at 296 K. In the atmosphere, reaction with OH radicals in the gas phase is estimated to account for 10%-20% of the loss of CF3COOH. The major fate of CF3COOH is rainout.