phenoxyformyl peroxynitrate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: phenoxyformyl peroxynitrate
• 英文别名: Nitrooxy phenyl carbonate；nitrooxy phenyl carbonate
• 化学式: C₇H₅NO₆
• 分子量: 199.12
• InChiKey: RCLVJAXMOHFSIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  phenoxyformyl peroxynitrate 生成
  参考文献：
  名称：

  Thermal stability of Peroxynitrates

  摘要：

  Peroxynitrates are thermally unstable intermediates (at ambient temperatures) in the atmospheric degradation of hydrocarbons. In this work, thermal lifetimes of nine peroxynitrates have been measured as a function of temperature and. for two of them, also. as a function of total pressure. In the presence of excess NO, relative concentrations of the peroxynitrates were followed in a 420 l reaction chamber as a function of time by means of Longpath IR absorption using a Fourier transform spectrometer. Original data on the unimolecular decomposition rate constants are presented for the peroxynitrates RO2NO2 with R = C6H11, CH3C(O)CH2, C6H5CH2,CH2I, CH3C(O)OC(H)CH3, C6H5OCH2, (CH3), NC(O), C6H2OC(O), and C2H5C(O). Thermal lifetimes at room temperature and atmospheric pressure are very short (in the order of seconds) for substituted methyl peroxynitrates (i.e., R'CH2O2NO2) but rather long for substituted formyl peroxynitrates (i.e., R " C(O)O2NO2). Kinetic data from this and previous work from our laboratory are used to derive structure-stability relationships which allow an estimate of the thermal lifetimes of peroxynitrates from readily available C-13 n.m.r. shift data. (C) 1999 John Wiley & Sons, Inc.

  DOI：

  10.1002/(sici)1097-4601(1999)31:2<127::aid-kin6>3.0.co;2-l
• 作为产物：
  描述：

  甲酸苯酯 在 氧气 、 氯 、 二氧化氮 作用下， 生成 phenoxyformyl peroxynitrate
  参考文献：
  名称：

  Thermal stability of Peroxynitrates

  摘要：

  Peroxynitrates are thermally unstable intermediates (at ambient temperatures) in the atmospheric degradation of hydrocarbons. In this work, thermal lifetimes of nine peroxynitrates have been measured as a function of temperature and. for two of them, also. as a function of total pressure. In the presence of excess NO, relative concentrations of the peroxynitrates were followed in a 420 l reaction chamber as a function of time by means of Longpath IR absorption using a Fourier transform spectrometer. Original data on the unimolecular decomposition rate constants are presented for the peroxynitrates RO2NO2 with R = C6H11, CH3C(O)CH2, C6H5CH2,CH2I, CH3C(O)OC(H)CH3, C6H5OCH2, (CH3), NC(O), C6H2OC(O), and C2H5C(O). Thermal lifetimes at room temperature and atmospheric pressure are very short (in the order of seconds) for substituted methyl peroxynitrates (i.e., R'CH2O2NO2) but rather long for substituted formyl peroxynitrates (i.e., R " C(O)O2NO2). Kinetic data from this and previous work from our laboratory are used to derive structure-stability relationships which allow an estimate of the thermal lifetimes of peroxynitrates from readily available C-13 n.m.r. shift data. (C) 1999 John Wiley & Sons, Inc.

  DOI：

  10.1002/(sici)1097-4601(1999)31:2<127::aid-kin6>3.0.co;2-l

文献信息

• Thermal stability of Peroxynitrates
  作者：F. Kirchner、A. Mayer-Figge、F. Zabel、K. H. Becker

  DOI：10.1002/(sici)1097-4601(1999)31:2<127::aid-kin6>3.0.co;2-l

  日期：——

  Peroxynitrates are thermally unstable intermediates (at ambient temperatures) in the atmospheric degradation of hydrocarbons. In this work, thermal lifetimes of nine peroxynitrates have been measured as a function of temperature and. for two of them, also. as a function of total pressure. In the presence of excess NO, relative concentrations of the peroxynitrates were followed in a 420 l reaction chamber as a function of time by means of Longpath IR absorption using a Fourier transform spectrometer. Original data on the unimolecular decomposition rate constants are presented for the peroxynitrates RO2NO2 with R = C6H11, CH3C(O)CH2, C6H5CH2,CH2I, CH3C(O)OC(H)CH3, C6H5OCH2, (CH3), NC(O), C6H2OC(O), and C2H5C(O). Thermal lifetimes at room temperature and atmospheric pressure are very short (in the order of seconds) for substituted methyl peroxynitrates (i.e., R'CH2O2NO2) but rather long for substituted formyl peroxynitrates (i.e., R " C(O)O2NO2). Kinetic data from this and previous work from our laboratory are used to derive structure-stability relationships which allow an estimate of the thermal lifetimes of peroxynitrates from readily available C-13 n.m.r. shift data. (C) 1999 John Wiley & Sons, Inc.