| 58531-55-8

• CAS: 58531-55-8
• 化学式: HO₂*H₂O
• 分子量: 51.022
• InChiKey: UCUKQZDMEHAGIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.93
• 重原子数：
  3.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.63
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  水 、 hydroperoxyl radical 以 further solvent(s) 为溶剂， 生成
  参考文献：
  名称：

  Experimental Evidence for the Existence of the HO₂−H₂O Complex

  摘要：

  Complex formation in the interaction of HO2 with H2O was studied using Fourier transform infrared absorption spectroscopy. Studies were carried out between 230 and 298 K in the presence of excess H2O. On the basis of measurements of HO2 disappearance, equilibrium constants (K-c) for the formation of the complex were determined to be 1.7 x 10(-16), 4.1 x 10(-17), and less than or equal to 4 x 10(-18) cm(3) molecule(-1) at 230, 250, and 298 K, respectively. The enthalpy for the reaction forming the complex was determined to be -36 +/- 16 kJ mol(-1). This is in good agreement with previous estimates made from kinetic measurements and theoretical calculations.

  DOI：

  10.1021/jp0006330