1-羟基丁基 | 21576-64-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-羟基丁基
• 英文名称: n-Butanol-Radikal
• CAS: 21576-64-7
• 化学式: C₄H₉O
• 分子量: 73.1149
• InChiKey: DHVSQGCGLGSLDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  5
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-羟基丁基 在 sodium hexachloroiridate 作用下， 以 正丁醇 为溶剂， 生成 正丁醛
  参考文献：
  名称：

  Photoreduction of IrCl62? complex in alcohol solutions and its reaction with hydroxyalkyl radicals

  摘要：

  The photochemistry of IrCl62- complex in simple alcohols have been studied using laser-flash photolysis. Single electron transfer from the solvent molecule to the light-excited complex has been shown to be the primary photochemical process. Quantum yields of the photoreduction of IrCl62- complex and the rate constants of its reaction with hydroxyalkyl radicals were determined at 200-330 KI Deviations of the rate constants from Debye-Smoluchowski equation for diffusion-controlled reactions are discussed. (C) 1998 John Wiley & Sons, Inc.

  DOI：

  10.1002/(sici)1097-4601(1998)30:10<711::aid-kin3>3.0.co;2-y
• 作为产物：
  描述：

  (Z)-N-benzylidene-2-methylpropan-2-amine oxide 生成 1-羟基丁基
  参考文献：
  名称：

  REHOREK D., ACTA CHIM. ACAD. SCI. HUNG. 1979, 101, NO 4, 395-403

  摘要：

  DOI：

文献信息

• Rate Constant Measurements for the Overall Reaction of OH + 1-Butanol → Products from 900 to 1200 K
  作者：Genny A. Pang、Ronald K. Hanson、David M. Golden、Craig T. Bowman

  DOI：10.1021/jp211885p

  日期：2012.3.15

  updated rate constants for 1-butanol and TBHP kinetics that influence the near-first-order OH concentration decay under the present experimental conditions, and this mechanism was used to facilitate the rate constant determination. The current work improves upon previous experimental studies of the title rate constant by utilizing a rigorously generated kinetic model to describe secondary reactions. Additionally

  对于总反应速率常数OH + 1-丁醇→产品是在温度范围900确定为1200ķ从在反射冲击波实验OH浓度时程的测量叔丁基过氧化氢（TBHP）作为OH自由基的快速来源，其中1-丁醇过量。窄线宽激光吸收用于定量OH浓度测量。构建了详细的动力学机制，其中包括在当前实验条件下影响近一阶OH浓度衰减的1-丁醇和TBHP动力学的更新速率常数，并使用该机制促进了速率常数的确定。当前的工作通过利用严格生成的动力学模型描述次级反应，改进了标题速率常数的先前实验研究。此外，当前的工作扩展了文献中有关燃烧相关条件下标题反应的实验数据的温度范围，首次测量值从900 K到1000K。–10  exp（−2505 / T [K]）cm 3分子–1 s –1。讨论了次级反应对整体OH衰减速率的影响，并进行了详细的不确定性分析，得出在1197 K时测得的速率常数为±20％，在925 K时为±23％时得到的整体不确定性。重新
• Gilbert, Bruce C.; Norman, Richard O. C.; Williams Peter S., Journal of the Chemical Society. Perkin transactions II, 1982, p. 1439 - 1446
  作者：Gilbert, Bruce C.、Norman, Richard O. C.、Williams Peter S.、Winter, Jeremy N.

  DOI：——

  日期：——
• Structure of spurs in .gamma.-irradiated alcohol matrices determined by electron spin-echo method
  作者：Tsuneki Ichikawa、Shinichi Wakasugi、Hiroshi Yoshida

  DOI：10.1021/j100262a032

  日期：1985.8
• REHOREK D., ACTA CHIM. ACAD. SCI. HUNG. 1979, 101, NO 4, 395-403
  作者：REHOREK D.

  DOI：——

  日期：——
• Photoreduction of IrCl62? complex in alcohol solutions and its reaction with hydroxyalkyl radicals
  作者：E. M. Glebov、V. F. Plyusnin、V. P. Grivin、Yu. V. Ivanov、N. V. Tkachenko、H. Lemmetyinen

  DOI：10.1002/(sici)1097-4601(1998)30:10<711::aid-kin3>3.0.co;2-y

  日期：——

  The photochemistry of IrCl62- complex in simple alcohols have been studied using laser-flash photolysis. Single electron transfer from the solvent molecule to the light-excited complex has been shown to be the primary photochemical process. Quantum yields of the photoreduction of IrCl62- complex and the rate constants of its reaction with hydroxyalkyl radicals were determined at 200-330 KI Deviations of the rate constants from Debye-Smoluchowski equation for diffusion-controlled reactions are discussed. (C) 1998 John Wiley & Sons, Inc.