1,2,2,2-tetrafluoro-ethyl | 40617-75-2

• 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: 1,2,2,2-tetrafluoro-ethyl
• CAS: 40617-75-2
• 化学式: C₂HF₄
• 分子量: 101.024
• InChiKey: PSJGGORNOOLROU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 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

• 作为反应物：
  描述：

  1,2,2,2-tetrafluoro-ethyl 在 氧化亚氮 、 六氟化硫 作用下， 以 gas 为溶剂， 生成 1,1,1,2-Tetrafluoro-2-nitroso-ethane
  参考文献：
  名称：

  Atmospheric chemistry of HFC-134a: Kinetics of the decomposition of the alkoxy radical CF3CFHO

  摘要：

  Decomposition of the CF3CFHO radical formed in the reaction of CF3CFHO2 radicals with NO was studied at 296 and 393 K using a pulse radiolysis transient VIS-UV absorption absolute rate technique. At room temperature in 1 atmosphere of SF6 diluent it was found that the majority (79 +/- 20)% of CF3CFHO radicals formed in the CF3CFHO2 + NO reaction decompose within 3 mu s via C-C bond scission. This result is discussed with respect to the current understanding of the atmospheric degradation of HFC-134a. As a part of the present work the rate constant ratio k(CF3CFH+02)/k(CF3CFH+NO) was determined to be 0.144 +/- 0.029 in one atmosphere of SF6 diluent at 296 K. (C) 1997 John Wiley & Sons, Inc.

  DOI：

  10.1002/(sici)1097-4601(1997)29:3<209::aid-kin8>3.0.co;2-y
• 作为产物：
  描述：

  氯四氟乙烷 在 air 、 氢气 、 臭氧 作用下， 30.0 ℃ 、6.67 kPa 条件下， 生成 1,2,2,2-tetrafluoro-ethyl
  参考文献：
  名称：

  使用 6 立方米光化学室对氯氟烃 (CFC)、溴氟烃 (BFC)、氢氯氟烃 (HCFC) 和 CH3Br 消耗臭氧的实验研究

  摘要：

  CFC（CFCl3 和 CF2Cl2）、BFC（CF3Br 和 C2F4Br2）、HCFC（CH3CCl2F、CF3CHCl2 和 CF3CHFCl）和 CH3Br 对臭氧的破坏使用配备紫外线增强型氙弧灯的 6 立方米可抽真空光化学室进行了演示。尽管链长远小于实际平流层中的链长：CFCl3 约为 8，CF3Br 约为 40，但臭氧通过涉及由紫外光光解卤化碳所释放的 Cl 或 Br 原子的催化循环衰减很明显。BFC 中的臭氧分解速率比 CFC 中的快。根据盒模型模拟，在 CFCl3 系统中，90% 的催化循环来自 Cl + O3 → ClO + O2 和 ClO + O → Cl + O2 的反应。另一方面，在 CF3Br 系统中，90% 的催化循环由以下反应控制：Br + O3 → BrO + O2 和 BrO + BrO → 2Br + O2。HCFC 和 CH3Br 在进入平流层时可以像

  DOI：

  10.1246/bcsj.69.535

文献信息

• An Experimental and Modelling Study of Ignition Delays in Shock-Heated Ethane-Oxygen-Argon Mixtures Inhibited by 2H-Heptafluoropropane
  作者：K. Ikeda、J.C. Mackie

  DOI：10.1524/zpch.2001.215.8.997

  日期：2001.1.1

  Ignition delay times have been measured behind reflected shock waves in ethane-oxygen-argon mixtures at temperatures between 1150 and 1500 K and pre-ignition pressures between 10 and 14 atm. Delay times have been measured both by pressure rise and OH absorption at 307 nm. Kinetic modelling of the ignition delays has been made using the GRIMech 3.0 mechanism which with addition of several reactions involving HO

  点火延迟时间已在反射激波后的乙烷-氧气-氩混合物中测量，在1150至1500K的温度和10至14大气压的预点火压力下。延迟时间已通过压力升高和307纳米处OH吸收来测量。使用GRIMech 3.0机制进行了点火延迟的动力学建模，其中包括涉及HO的几个反应。
• Kinetics of the gas-phase reactions of chlorine atoms with CH₂F₂, CH₃CCl₃, and CF₃CFH₂over the temperature range 253-553 K
  作者：E. J. K. Nilsson、M. S. Johnson、O. J. Nielsen、E. W. Kaiser、T. J. Wallington

  DOI：10.1002/kin.20398

  日期：2009.6

  to study the title reactions in 930–1200 mbar of N2 diluent. The reaction rate coefficients measured in the present work are summarized by the expressions k(Cl + CH2F2) = 1.19 × 10−17 T2 exp(−1023/T) cm3 molecule−1 s−1 (253–553 K), k(Cl + CH3CCl3) = 2.41 × 10−12 exp(−1630/T) cm3 molecule−1 s−1 (253–313 K), and k(Cl + CF3CFH2) = 1.27 × 10−12 exp(−2019/T) cm3 molecule−1 s−1 (253–313 K). Results are discussed

  相对速率技术用于研究930–1200 mbar N 2稀释剂中的标题反应。本工作中测得的反应速率系数由表达式k（Cl + CH 2 F 2）= 1.19×10 -17 T 2 exp（-1023 / T）cm 3分子-1 s -1（253-553）总结。 K），k（Cl + CH 3 CCl 3）= 2.41×10 -12 exp（−1630 / T）cm 3分子-1 s -1（253–313 K）和k（Cl + CF 3 CFH 2）= 1.27×10 -12 exp（-2019 / T）cm 3分子-1 s -1（253-313 K）。关于文献数据讨论了结果。©2009 Wiley Periodicals，Inc.国际化学杂志Kinet 41：401–406，2009
• Rate coefficients for the chemical reactions of CH2F2, CHClF2, CH2FCF3 and CH3CCl3 with O(1D) at 298K
  作者：E.J.K. Nilsson、V.F. Andersen、O.J. Nielsen、M.S. Johnson

  DOI：10.1016/j.cplett.2012.10.001

  日期：2012.12

  for the chemical reactions (species loss rates, quenching excluded) of the refrigerants CH2F2 (HFC-32), CHClF2 (HFC-22) and CH2FCF3 (HFC-134a), and the solvent CH3CCl3 with O(1D) are determined relative to CH4 + O(1D) at 298 K. The resulting rates k(CH2F2 + O(1D)) = (4.78 ± 1.03) × 10−11 cm3 molecule−1 s−1, k(CHClF2 + O(1D)) = (8.69 ± 1.72) × 10−11 cm3 molecule−1 s−1, k(CH2FCF3 + O(1D)) = (6.10 ± 1.

  制冷剂CH 2 F 2（HFC-32），CHClF 2（HFC-22）和CH 2 FCF 3（HFC-134a）和溶剂CH的化学反应的速率系数（物种损失率，不包括淬灭）3的CCl 3与O（1 d）是确定的相对于CH 4  + O（1 d）在298K所得率ķ（CH 2 ˚F 2  + O（1 d））=（4.78±1.03）×10 - 11  cm 3 分子-1  s -1，k（CHClF 2 + O（1 D））=（8.69±1.72）×10 -11  cm 3 分子-1  s -1，k（CH 2 FCF 3  + O（1 D））=（6.10±1.43）×10 -11  cm将3个 分子-1  s -1与可用的文献数据进行比较。首次确定1,1,1-三氯乙烷与O（1 D）的反应速率，k（CH 3 CCl 3  + O（1 D））=（2.93±1.20）×10 -10  cm 3分子-1 s -1。
• Kinetics and mechanism of gas-phase reaction of CF3CF2CF2CF2CF2CF2CF2CF2H with OH radicals in an environmental reaction chamber at 253–328K
  作者：L. Chen、T. Uchimaru、S. Kutsuna、K. Tokuhashi、A. Sekiya、H. Okamoto

  DOI：10.1016/j.cplett.2010.12.009

  日期：2011.1

  of CF3(CF2)7H was studied in an 11.5-dm3 environmental reaction chamber by means of Fourier transform infrared spectroscopy. Using a relative rate method, we determined the Arrhenius expression for the rate constant of the reaction of CF3(CF2)7H with OH radicals to be (4.32 ± 1.87) × 10–13 exp[–(1540 ± 130)/T] cm3 mol–1 s–1 at 253–328 K. At 298 K, COF2 was a sole product in a molar yield of (1.02 ± 0

  通过傅立叶变换红外光谱法在11.5dm 3的环境反应室内研究了CF 3（CF 2）7 H的大气化学性质。使用相对速率方法，我们确定CF 3（CF 2）7 H与OH自由基反应的速率常数的Arrhenius表达式为（4.32±1.87）×10 –13  exp [–（1540±130）/ T ] cm 3  mol –1  s –1在253 – 328 K时。在298 K时，COF 2是唯一的产品，碳的摩尔产率为（1.02±0.11）。
• Infrared multiphoton dissociation of 2‐chloro‐1,1,1,2‐tetrafluoroethane in a molecular beam
  作者：Atsushi Yokoyama、Keiichi Yokoyama、Ginji Fujisawa

  DOI：10.1063/1.467057

  日期：1994.5

  Mechanism and dynamics of the infrared multiphoton dissociation of 2-chloro-1, 1,1,2-tetrafluoroethane have been studied using a photofragmentation translational spectroscopy. The molecule dissociates competitively through three-centered elimination of HCl and C–Cl bond rupture. The HCl elimination reaction accounts for 74% of the total primary dissociation yields. The center-of-mass translational energy distribution for the HCl elimination indicates that an exit barrier of several kcal/mol exists along the reaction coordinate on the potential energy surface. The infrared multiphoton dissociation of CF3CF produced by the HCl elimination from CF3CHClF also occurs as a secondary process through its dissociation into two CF2 molecules. The average excitation energy of dissociating CF3CHClF has been determined to be about 20 kcal/mol above the C–Cl dissociation threshold of the molecule by comparing the observed center-of-mass translational energy distribution for the C–Cl bond rupture reaction with that calculated by Rice–Ramsperger–Kassel–Marcus (RRKM) theory.