| 4539-13-3

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• CAS: 4539-13-3
• 化学式: C₂ClF₄
• 分子量: 135.469
• InChiKey: LNFODQRQRWMHAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  在 氧化亚氮 作用下， 生成 1-chloro-1,2,2,2-tetrafluoro-1-nitroso-ethane
  参考文献：
  名称：

  UV absorption spectrum of CF3CFClO2 and kinetics of the self reaction of CF3CFCl and CF3CFClO2 and the reactions of CF3CFClO2 with NO and NO2

  摘要：

  AbstractThe ultraviolet absorption spectrum of CF3CFClO2 and the kinetics of the self reactions of CF3CFCl and CF3CFClO2 radicals and the reactions of CF3CFClO2 with NO and NO2 have been studied in the gas phase at 295 K by pulse radiolysis/transient UV absorption spectroscopy. The UV absorption cross section of CF3CFCl radicals was measured to be (1.78 ± 0.22) × 10−18 cm2 molecule−1 at 220 nm. The UV spectrum of CF3CFClO2 radicals was quantified from 220 nm to 290 nm. The absorption cross section at 250 nm was determined to be (1.67 ± 0.21) × 10−18 cm2 molecule−1. The rate constants for the self reactions of CF3CFCl and CF3CFClO2 radicals were (2.6 ± 0.4) × 10−12 cm3 molecule−1 s−1 and (2.6 ± 0.5) × 10−12 cm3 molecule−1 s−1, respectively. The reactivity of CF3CFClO2 radicals towards NO and NO2 was determined to (1.5 ± 0.6) × 10−11 cm3 molecule−1 s−1 and (5.9 ± 0.5) × 10−12 cm3 molecule−1 s−1, respectively. Finally, the rate constant for the reaction of F atoms with CF3CFClH was determined to (8 ± 2) × 10−13 cm3 molecule−1 s−1. Results are discussed in the context of the atmospheric chemistry of HCFC‐124, CF3CFClH. © 1994 John Wiley & Sons, Inc.

  DOI：

  10.1002/kin.550261007
• 作为产物：
  描述：

  氯四氟乙烷 在 六氟化硫 作用下， 生成
  参考文献：
  名称：

  UV absorption spectrum of CF3CFClO2 and kinetics of the self reaction of CF3CFCl and CF3CFClO2 and the reactions of CF3CFClO2 with NO and NO2

  摘要：

  AbstractThe ultraviolet absorption spectrum of CF3CFClO2 and the kinetics of the self reactions of CF3CFCl and CF3CFClO2 radicals and the reactions of CF3CFClO2 with NO and NO2 have been studied in the gas phase at 295 K by pulse radiolysis/transient UV absorption spectroscopy. The UV absorption cross section of CF3CFCl radicals was measured to be (1.78 ± 0.22) × 10−18 cm2 molecule−1 at 220 nm. The UV spectrum of CF3CFClO2 radicals was quantified from 220 nm to 290 nm. The absorption cross section at 250 nm was determined to be (1.67 ± 0.21) × 10−18 cm2 molecule−1. The rate constants for the self reactions of CF3CFCl and CF3CFClO2 radicals were (2.6 ± 0.4) × 10−12 cm3 molecule−1 s−1 and (2.6 ± 0.5) × 10−12 cm3 molecule−1 s−1, respectively. The reactivity of CF3CFClO2 radicals towards NO and NO2 was determined to (1.5 ± 0.6) × 10−11 cm3 molecule−1 s−1 and (5.9 ± 0.5) × 10−12 cm3 molecule−1 s−1, respectively. Finally, the rate constant for the reaction of F atoms with CF3CFClH was determined to (8 ± 2) × 10−13 cm3 molecule−1 s−1. Results are discussed in the context of the atmospheric chemistry of HCFC‐124, CF3CFClH. © 1994 John Wiley & Sons, Inc.

  DOI：

  10.1002/kin.550261007

文献信息

• Kinetics and Thermochemistry of the OH Radical Reaction with CF₃CCl₂H and CF₃CFClH
  作者：Takahiro Yamada、Tunchen D. Fang、Philip H. Taylor、Rajiv J. Berry

  DOI：10.1021/jp993577f

  日期：2000.6.1

  SAR predictions. The results of this study indicate that F substitution at the reaction site has a significant (reductive) effect on hydrochlorofluorocarbon (HCFC) reactivity. This result was also observed in prior studies of CHFClsub 2} and CHFsub 2}Cl. A similar effect in HCFC reactivity was not observed for changes in F substitution beta} to the reaction site, indicating that the electron-withdrawing

  报告了羟基 (OH) 自由基与 CFsub 3}CClsub 2}H (kappa}sub 1}) 和 CFsub 3}CFClH (kappa}sub) 气相反应的速率系数2}）在扩展的温度范围内。在总压力为 740 +-} 10 Torr 的缓慢流动条件下，使用激光光解/激光诱导荧光 (LP/LIF) 技术进行测量。kappa}sub 1} 和 kappa}sub 2} 的较低温度测量结果与之前使用不同技术的测量结果一致。数据的 Arrhenius 图表现出显着的曲率，最好用以下修改后的 Arrhenius 表达式（cmsup 3} 分子sup minus}1} ssup minus}1}，2sigma} 误差限制）来描述： kappa}sub 1} (296-866 K) = (2.20 +-} 0.25) x 10sup minus}19}
• Kinetics of Cl(2P) reactions with CF3CHCl2, CF3CHFCl, and CH3CFCl2
  作者：Rachel F. Warren、A. R. Ravishankara

  DOI：10.1002/kin.550251005

  日期：1993.10

  AbstractThe rate coefficients for the removal of Cl atoms by reaction with three HCFCs, CF3CHCl2 (HCFC‐123), CF3CHFCl (HCFC‐124), and CH3CFCl2 (HCFC 141b), were measured as a function of temperature between 276 and 397 K. CH3CF2Cl (HCFC‐142b) was studied only at 298 K. The Arrhenius expressions obtained are: k1 = (3.94 ± 0.84)× 10−12 exp[−(1740 ± 100)/T] cm3 molecule−1 s−1 for CF3CHCl2 (HCFC 123); k2 = (1.16 ± 0.41) × 10−12 exp[−(1800 ± 150)/T] cm3 molecule−1 s−1 for CF3CHFCl (HCFC 124); and k3 = (1.6 ± 1.1) × 10−12 exp[−(1800 ± 500)/T] cm3 molecule−1 s−1 for CH3CFCl2 (HCFC 141b). In case of HCFC 141b, non‐Arrhenius behavior was observed at temperatures above ca. 350 K and is attributed to the thermal decomposition of CH2CFCl2 product into Cl + CH2CFCl. In case of HCFC‐142b, only an upper limit for the 298 K value of the rate coefficient was obtained. The atmospheric significance of these results are discussed. © 1993 John Wiley & Sons, Inc.
• GIERCZAK, TOMASZ;TALUKDAR, RANAJIT;VAGHJIANI, GHANSHYAM L.;LOVEJOY, EDWAR+, J. GEOPHYS. RES. D, 96,(1991) N, C. 5001-5011
  作者：GIERCZAK, TOMASZ、TALUKDAR, RANAJIT、VAGHJIANI, GHANSHYAM L.、LOVEJOY, EDWAR+

  DOI：——

  日期：——