octadecylammonium p-toluenesulfonate | 95499-57-3

• 英文名称: octadecylammonium p-toluenesulfonate
• 英文别名: octadecylammonium tosylate；toluene-4-sulfonic acid ; octadecylamine salt；Toluol-4-sulfonsaeure; Octadecylamin-Salz；Octadecylammonium tosylate；4-methylbenzenesulfonate;octadecylazanium
• CAS: 95499-57-3
• 化学式: C₇H₈O₃S*C₁₈H₃₉N
• 分子量: 441.719
• InChiKey: IZFQDYAALSBLBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.45
• 重原子数：
  30
• 可旋转键数：
  17
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  88.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对甲苯磺酸 、 十八胺 反应 24.0h， 生成 octadecylammonium p-toluenesulfonate
  参考文献：
  名称：

  A New Green Ionic Liquid-Based Corrosion Inhibitor for Steel in Acidic Environments

  摘要：

  这项工作研究了新型疏水性离子液体衍生物（即甲苯磺酸十八烷基铵 (ODA-TS) 和甲苯磺酸油基铵 (OA-TS)）在 1 M 盐酸溶液中对钢的腐蚀防护的用途。它们的化学结构是通过核磁共振分析确定的。通过电导、表面张力和接触角测量来评估制备的 ODA-TS 和 OA-TS 的表面活性特性。数据表明 OA-TS 化学结构中双键的存在改变了其表面活性参数。利用动电位极化、电化学阻抗谱 (EIS) 测量、扫描电子显微镜 (SEM)、能量色散 X 射线 (EDX) 分析和接触角测量研究 ODA-TS 和 OA-TS 对钢铁的腐蚀防护性能。酸性溶液。由于在钢材表面形成抑制膜，OA-TS和ODA-TS化合物在酸性氯化物溶液中表现出良好的防护性能。

  DOI：

  10.3390/molecules200611131

文献信息

• Anion and cation effects of ionic liquids and ammonium salts evaluated as dehydrating agents for super-heavy crude oil: Experimental and theoretical points of view
  作者：César A. Flores、Eugenio A. Flores、Edgar Hernández、Laura V. Castro、Antonieta García、Fernando Alvarez、Flavio S. Vázquez

  DOI：10.1016/j.molliq.2014.03.044

  日期：2014.8

  One series of ionic liquids (IL), [TOA](+) [Y](-) (where [Y](-) = [Cl](-), [HSO4](-) or[H2PO4](-)), and new ammonium salts, [OCD](+) [Y](-) (where [Y] = [HSO4](-), [MeSO3](-) or [MePhSO3](-)), were evaluated as demulsifying agents for super-heavy crude oil, at API = 639 degrees (MOl) and API = 7.13 (MO2), with 8.46 and 8.94 wt.% of asphaltenes, respectively, at dosages of 1000 and 1500 ppm, using a conventional heating bottle test. At 1000 ppm, the ranking of water removal efficiency for the [TOA](+) [Y](-) series (in MO1 and MO2, in order to reach 96.7% and 95.4%, respectively) was [Cl](-) > [HSO4](-) > [H2PO4](-). For the [OCD](+) [Y](-) series, the rankings for efficiency at 360 min were [HSO4](-) > [MeSO3](-), reaching approximately 27% in MO2, whereas [MePhSO3](-) reached 1% in MO2.At a dosage of 1500 ppm, the [TOA](+) [Y](-) series achieved 100% water removal, showing the same order at 1000 ppm. For [OCD](+) [Y](-), the order at 24 h was [HSO4](-) > [MeSO3](-) > [MePhSO3](-) for MO1 and MO2 at maximums of 85.5% and 92.3%, respectively. [OCD](+) [HSO4](-) was an efficient demulsifier in tests of long duration. Quantum parameters were obtained at the semiempirical RM1 level, in order to establish a correlation with the experimental results. The molecular volume (V-m), molecular refractivity (MR), dipolar moment (mu) and mean polarizability (alpha) of the cation and anion fragments were important factors driving the dewatering process. Vm, MR and a were shown to have a direct relationship with water removal efficiency. Furthermore, absolute softness and the electrophilicity index of the cation fragments were calculated at the density functional theory (DFT) level. An increase in the softness and electrophilicity of the cations correlated with lesser effectiveness as demulsifiers. Finally, the partition coefficient of the cations showed that if the viscosity of the crude oil is low, it is possible to use ILs with a low partition coefficient (log P), but if the viscosity is high, the log P of IL should be near the [TOA](+) [Cl](-) value.(c) 2014 Elsevier B.V. All rights reserved.