methoxymethylperoxy radical | 73526-16-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methoxymethylperoxy radical
• 英文别名: Methyldioxy, methoxy-
• CAS: 73526-16-6
• 化学式: C₂H₅O₃
• 分子量: 77.0599
• InChiKey: UYLPCRIGGIVZPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  19.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methoxymethylperoxy radical 在 氧化亚氮 作用下， 22.9 ℃ 、100.0 kPa 条件下， 生成 methoxymethyloxygen
  参考文献：
  名称：

  CH的紫外吸收光谱3 OCH 2基团和CH的反应动力学3 OCH 2个ö 2自由基与NO和NO 2在气相中

  摘要：

  在气相在296 K下对源自二甲醚的烷基和烷基过氧自由基进行了研究。使用了脉冲辐射分解-UV吸收技术。在220-350 nm的波长范围内对吸收截面进行了定量。在230nm，σ CH 3 OCH 2 =（4.2±0.5）×10 -18厘米2分子-1已被获得。烷基过氧自由基与NO和NO 2反应的速率常数确定为（9.1±1.0）×10 -12 cm 3分子-1 s -1和（7.9±0.4）×10 -12 cm 3分子-1s -1。

  DOI：

  10.1016/0009-2614(95)00486-n
• 作为产物：
  描述：

  methoxymethyl radical 在 氧气 作用下， -53.1 ℃ 、14.8 kPa 条件下， 生成 methoxymethylperoxy radical
  参考文献：
  名称：

  Kinetic Studies of the Oxidation of Dimethyl Ether and Its Chain Reaction with Cl₂

  摘要：

  The reaction between dimethyl ether radicals and molecular oxygen proceeds along two distinct pathways at temperatures between 230 and 350 K. Above about 100 Torr total pressure the peroxy radical, CH3OCH2O2, is predominantly formed. As the pressure is reduced, a channel leading to the formation of OH and two formaldehyde molecules becomes progressively more important. Real time kinetic measurements of these reactions are made using time-resolved UV spectroscopy to monitor CH3OCH2 loss and CH3OCH2O2 formation along with transient IR absorption to probe formaldehyde production. The OH radicals are identified via their UV spectrum. The reaction can be described via a modified Lindemann mechanism using the three parameters k(ro2 infinity), k(ro2,0), and k(prod,0), which represent the high- and low-pressure limits of the O-2 addition reaction and the low-pressure limit of the OH/formaldehyde channel. At 295 K they have values of (1.1 +/- 0.1) x 10(-11) cm(3) s(-1), (2.6 +/- 0.9) x 10(-29) cm(6) s(-1), and (6 +/- 2) x 10(-12) cm(3) s(-1), respectively. At P-tot = similar to 120 Torr the reaction exhibits a negative temperature dependence with k(r+o2) = (3.1(-0.8)(+1.0)) x 10(-12) e((326+/-80)/T) cm(3) s(-1). Experiments in the absence of oxygen were performed to investigate the CH3OCH2-mediated chain reaction between chlorine and dimethyl ether. Analysis of time-resolved UV spectra reveals rate constants of k(r+cl2) = (1.8(-0.5) (+0.7)) x 10(-11) e((360+/-120)/T) cm(3)s(-1) and k(r+r) = (1.8(-0.5)(+0.6)) x 10(-11) e((200+/-100)/T) cm(3)s(-1), respectively, for the chain propagation reaction between CH3OCH2 and molecular chlorine and for the chain-terminating recombination reaction.

  DOI：

  10.1021/jp9709666