6,8-dioxo-8-phenyl-octanoic acid ethyl ester | 101429-92-9

• 英文名称: 6,8-dioxo-8-phenyl-octanoic acid ethyl ester
• 英文别名: 6,8-Dioxo-8-phenyl-octansaeure-aethylester
• CAS: 101429-92-9
• 化学式: C₁₆H₂₀O₄
• 分子量: 276.332
• InChiKey: XUKBSGOSYNYVMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.95
• 重原子数：
  20.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  60.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  6-氯-6-氧代己酸乙酯 、 苯乙酮 在 sodium amide 作用下， 生成 6,8-dioxo-8-phenyl-octanoic acid ethyl ester
  参考文献：
  名称：

  More Realistic Soil Cleanup Standards with Dual-Equilibrium Desorption

  摘要：

  AbstractThe desorption of contaminants from soils/sediments is one of the most important processes controlling contaminant transport and environmental risks. None of the currently adopted desorption models can accurately quantify desorption at relatively low concentrations; these models often overestimate the desorption and thus the risks of hydrophobic organic chemicals, such as benzene and chlorinated solvents. In reality, desorption is generally found to be biphasic, with two soil‐phase compartments. A new dual‐equilibrium desorption (DED) model has been developed to account for the biphasic desorption. This model has been tested using a wide range of laboratory and field data and has been used to explain key observations related to underground storage tank plumes. The DED model relates the amount of a chemical sorbed to the aqueous concentration, with simple parameters including octanol‐water partition coefficient, solubility, and fractional organic carbon; thus, it is the only biphasic model, to date, that is based on readily available parameters. The DED model can be easily incorporated into standard risk and transport models. According to this model, many regulatory standards of soils and sediments could be increased without increasing the risks.

  DOI：

  10.1111/j.1745-6584.2002.tb02500.x