propylperoxyl | 42953-38-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: propylperoxyl
• 英文别名: Propyldioxy
• CAS: 42953-38-8
• 化学式: C₃H₇O₂
• 分子量: 75.0874
• InChiKey: NALIQVLPVWZDOO-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：
  10.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  propylperoxyl 在 氧化亚氮 作用下， -72.1~128.9 ℃ 、426.63 Pa 条件下， 生成 propyloxyl
  参考文献：
  名称：

  Temperature-dependent kinetics studies of the reactions of C2H5O2 andn-C3H7O2 radicals with NO

  摘要：

  The rate coefficients for the gas-phase reactions of C2H5O2 and n-C3H7O2 radicals with NO have been measured over the temperature range of (201-403) K using chemical ionization mass spectrometric detection of the peroxy radical, The alkyl peroxy radicals were generated by reacting alkyl radicals with O-2, where the alkyl radicals were produced through the pyrolysis of a larger alkyl nitrite. In some cases C2H5 radicals were generated through the dissociation of iodoethane in a low-power radio Frequency discharge. The discharge source was also tested for the i-C3H7O2 + NO reaction, yielding k(298 K) = (9.1 +/- 1.5) x 10(-12) cm(3) molecule(-1) s(-1), in excellent agreement with our previous determination. The temperature dependent rate s coefficients were found to be k(T) = (2.6 +/- 0.4) x 10(-12) exp{(380 +/- 70)/T} cm(3) molecule(-1) s(-1) and = 12.9 +/- 0.5) x 10(-12) exp{(350 +/- 60)T} cm(3) molecule(-1) s(-1) for the reactions of C2H5O2 and n-C3H7O2 radicals with NO, respectively. The rate coefficients at 298 K derived from these Arrhenius expressions are k = (9.3 +/- 1.6) x 10(-12) cm(3) molecule(-1) s(-1) for C2H5O2 radicals and k = (9.4 +/- 1.6) x 10(-12) cm(3) molecule(-1) s(-1) for n-C2H5O2 radicals. (C) 1996 John Wiley & Sons, Inc.

  DOI：

  10.1002/(sici)1097-4601(1996)28:10<731::aid-kin3>3.0.co;2-o
• 作为产物：
  描述：

  1-Propylradikal 在 氧气 作用下， 以 various solvent(s) 为溶剂， 生成 propylperoxyl
  参考文献：
  名称：

  丙基自由基与分子氧的反应速率

  摘要：

  DOI：

  10.1021/j150656a033

文献信息

• Thermal decomposition of alkyl peroxynitrates
  作者：F. Zabel、A. Reimer、K. H. Becker、E. H. Fink

  DOI：10.1021/j100351a036

  日期：1989.7
• Rates of reaction of propyl radicals with molecular oxygen
  作者：Rennie P. Ruiz、Kyle D. Bayes

  DOI：10.1021/j150656a033

  日期：1984.6
• Temperature-dependent kinetics studies of the reactions of C2H5O2 andn-C3H7O2 radicals with NO
  作者：J�rg Eberhard、Carleton J. Howard

  DOI：10.1002/(sici)1097-4601(1996)28:10<731::aid-kin3>3.0.co;2-o

  日期：——

  The rate coefficients for the gas-phase reactions of C2H5O2 and n-C3H7O2 radicals with NO have been measured over the temperature range of (201-403) K using chemical ionization mass spectrometric detection of the peroxy radical, The alkyl peroxy radicals were generated by reacting alkyl radicals with O-2, where the alkyl radicals were produced through the pyrolysis of a larger alkyl nitrite. In some cases C2H5 radicals were generated through the dissociation of iodoethane in a low-power radio Frequency discharge. The discharge source was also tested for the i-C3H7O2 + NO reaction, yielding k(298 K) = (9.1 +/- 1.5) x 10(-12) cm(3) molecule(-1) s(-1), in excellent agreement with our previous determination. The temperature dependent rate s coefficients were found to be k(T) = (2.6 +/- 0.4) x 10(-12) exp(380 +/- 70)/T} cm(3) molecule(-1) s(-1) and = 12.9 +/- 0.5) x 10(-12) exp(350 +/- 60)T} cm(3) molecule(-1) s(-1) for the reactions of C2H5O2 and n-C3H7O2 radicals with NO, respectively. The rate coefficients at 298 K derived from these Arrhenius expressions are k = (9.3 +/- 1.6) x 10(-12) cm(3) molecule(-1) s(-1) for C2H5O2 radicals and k = (9.4 +/- 1.6) x 10(-12) cm(3) molecule(-1) s(-1) for n-C2H5O2 radicals. (C) 1996 John Wiley & Sons, Inc.