3-(2-cyanoethyl)-1-octyl-1H-imidazol-3-ium benzenesulfonate | 1602589-74-1

• 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: 3-(2-cyanoethyl)-1-octyl-1H-imidazol-3-ium benzenesulfonate
• CAS: 1602589-74-1
• 化学式: C₆H₅O₃S*C₁₄H₂₄N₃
• 分子量: 391.535
• InChiKey: FOYJIUQHKWKCAU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  27.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89.8
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1-溴辛烷 以 甲醇 、 水 为溶剂， 反应 58.0h， 生成 3-(2-cyanoethyl)-1-octyl-1H-imidazol-3-ium benzenesulfonate
  参考文献：
  名称：

  Effect of Temperature and Anion on Densities, Viscosities, and Refractive Indices of 1-Octyl-3-propanenitrile Imidazolium-Based Ionic Liquids

  摘要：

  A series of 1-octyl-3-propanenitrile imidazolium based room temperature ionic liquids incorporated with different sulfonate-based anions were synthesized and characterized using H-1 NMR, Fourier transform infrared spectroscopy (FTIR), and elemental analysis. The density and viscosity were measured at T = (293.15 to 353.15) K, the refractive index was measured at T (298.15 to 383.15) K, and the thermal expansion coefficient was estimated from the density values. The effects of the anions on these physical properties and on the lattice energy were discussed.

  DOI：

  10.1021/je400824z

文献信息

• CO2 capture by task specific ionic liquids (TSILs) and polymerized ionic liquids (PILs and AAPILs)
  作者：Maisara Shahrom Raja Shahrom、Cecilia Devi Wilfred、AboBakr Khidir Ziyada Taha

  DOI：10.1016/j.molliq.2016.02.046

  日期：2016.7

  In the present study, new ionic liquids (ILs) such as task specific ionic liquids (TSILs), polymerized ionic liquids (PILs), and amino acid-based polymerized ionic liquids (AAPILs) were synthesized and their efficiency for capturing CO2 was studied. Nitrile imidazolium-based TSILs with different alkyl chain length and different anion ([DDS], [TFMS], [SBA], [BS], [DOSS]), PILs consisting of [VBTMA]

  在本研究中，新的离子液体（IL），诸如任务特定的离子液体（功能化离子液体），聚合的离子液体（比尔森）和（AAPILs）的合成基于氨基酸的聚合的离子液体和它们的用于捕获CO效率2进行了研究。具有不同烷基链长度和不同阴离子（[DDS]，[TFMS]，[SBA]，[BS]，[DOSS]）的腈基咪唑基TSIL，由[VBTMA]，[VBTEA]和[METMA]阳离子组成的PIL合成了[BF 4 ]，[Cl]，[NO 3 ]，[PF 6 ]和[TFMS]阴离子以及掺入了[VBTMA]作为阳离子和[Arg]，[Pro]作为阴离子的AAPIL。结果表明，随着烷基链长度的增加，CO 2的吸附增加，[C 2 CNDim] [DOSS]的CO最高。TSIL中有2种吸附，在10 BAr，298 K时达到0.55 mol分数。在聚合离子液体中，聚合物形式的CO 2吸附能力比单体形式增加。为了提高PIL吸附CO 2的