caprolactam, benzoate | 868082-91-1

• 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: caprolactam, benzoate
• 英文别名: Benzoic acid--azepan-2-one (1/1)；azepan-2-one;benzoic acid
• CAS: 868082-91-1
• 化学式: C₆H₁₁NO*C₇H₆O₂
• 分子量: 235.283
• InChiKey: JJGKQQLXUPLXBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  己内酰胺 、 苯甲酸 生成 caprolactam, benzoate
  参考文献：
  名称：

  Characterization of caprolactam based eutectic ionic liquids and their application in SO2 absorption

  摘要：

  Five caprolactam (CPL) based eutectic ionic liquids (Ells) were prepared and their melting point, density, conductivity, viscosity, and decomposition temperature were detected. The Ells were investigated as potential absorbents for SO2 capture at 30 degrees C to 70 degrees C and 1 atmospheric pressure of pure gas. These properties of these EILs are similar to traditional ionic liquids and quite different from molecular solvents. In the tested temperature range, the density increases linearly with the increase of temperature, and the temperature dependence conductivity or viscosity is described by a VTF equation. CPL-imidazole (1:1) has the highest conductivity of 32.3 mu s/cm at 30 degrees C and lowest viscosity of 48.6 mPa.s at 30 degrees C. The SO2 absorption capacities of CPL-organic amines based EILs are higher than CPL-organic acids based EILs. The solubility of SO2 in CPL-acetamide (1:1) is higher than BMImBF(4) and lower than DMF. The solubility of SO2 in CPL-acetamide (1:1) is 0.497 g/g of mass fraction at 30 degrees C and the absorption is practically reversible. The absorption in CPL-acetamide (1:1) may probably follow a physical process by H-1 NMR analysis. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molliq.2012.12.024

文献信息

• Characterization of caprolactam based eutectic ionic liquids and their application in SO2 absorption
  作者：Baoyou Liu、Jingjing Zhao、Fuxiang Wei

  DOI：10.1016/j.molliq.2012.12.024

  日期：2013.4

  Five caprolactam (CPL) based eutectic ionic liquids (Ells) were prepared and their melting point, density, conductivity, viscosity, and decomposition temperature were detected. The Ells were investigated as potential absorbents for SO2 capture at 30 degrees C to 70 degrees C and 1 atmospheric pressure of pure gas. These properties of these EILs are similar to traditional ionic liquids and quite different from molecular solvents. In the tested temperature range, the density increases linearly with the increase of temperature, and the temperature dependence conductivity or viscosity is described by a VTF equation. CPL-imidazole (1:1) has the highest conductivity of 32.3 mu s/cm at 30 degrees C and lowest viscosity of 48.6 mPa.s at 30 degrees C. The SO2 absorption capacities of CPL-organic amines based EILs are higher than CPL-organic acids based EILs. The solubility of SO2 in CPL-acetamide (1:1) is higher than BMImBF(4) and lower than DMF. The solubility of SO2 in CPL-acetamide (1:1) is 0.497 g/g of mass fraction at 30 degrees C and the absorption is practically reversible. The absorption in CPL-acetamide (1:1) may probably follow a physical process by H-1 NMR analysis. (C) 2012 Elsevier B.V. All rights reserved.