全氟庚基苯甲酸 | 13710-46-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 全氟庚基苯甲酸
• 英文名称: perfluoroheptylbenzoic acid
• 英文别名: 4-Perfluorheptyl-benzoesaeure；4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptyl)benzoic acid
• CAS: 13710-46-8
• 化学式: C₁₄H₅F₁₅O₂
• 分子量: 490.169
• InChiKey: MIEGIKCUTGGMAK-UHFFFAOYSA-N

物化性质

• 熔点：
  195-196 °C
• 沸点：
  293.3±40.0 °C(Predicted)
• 密度：
  1.632±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  全氟庚基苯甲酸 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 溶剂黄146 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、137.9 kPa 条件下， 反应 18.0h， 生成
  参考文献：
  名称：

  The Synthesis and Mesomorphism of Mesogenic Imines with Fluorocarbon Chains and their Complexes with Rhenium(I): New Materials with Cubic Phases

  摘要：

  In this paper, we describe the synthesis of some imine ligands bearing fluorinated chains and their metal complexes with Re(I). Whereas related ligands with hydrocarbon chains show nematic and S-C phases, the new ligands show S-A and S-C phases. However, when both terminal chains are fully fluorinated, then the ligand additionally show a cubic phase. Metal complexes of the fluorinated ligands show a S-A phase before decomposing.The mesomorphism of both the complexes and the ligands is discussed and the formation of cubic phases in these imines is explored in relation to other materials showing a cubic phase.

  DOI：

  10.1080/10587250108025766
• 作为产物：
  描述：

  全氟庚酸 在 chromium(VI) oxide 、 硫酸 、 sulfur tetrafluoride 、 magnesium 作用下， 以 乙酸酐 、 溶剂黄146 为溶剂， 反应 15.0h， 生成 全氟庚基苯甲酸
  参考文献：
  名称：

  Fialkov, Yu. A.; Zalesskaya, I. M.; Yagupol'skii, L. M., Journal of Organic Chemistry USSR (English Translation), 1983, vol. 19, # 10, p. 1781 - 1787

  摘要：

  DOI：

文献信息

• Polymorphism and intermolecular interactions in crystalline fluorinated alkylbenzoic acids
  作者：A.K. Atakhodzhaev、L.M. Babkov、I.M. Zalesskaya、Yu.A. Fialkov、V.P. Privalko、G.I. Khmelenko、G.A. Puchkovskaya、A.A. Yakubov

  DOI：10.1016/0022-2860(87)80064-9

  日期：1987.9

  spectral characteristics of fluorinated derivatives of alkylbenzoic acids (FABA) were studied in the temperature range 100–550 K. Experimental values of temperatures, enthalpies and entropies of phase transitions, as well as hydrogen bond energy at different temperatures and in the various physical (phase) states were compared to those for alkyl- and fluoroalkyl-benzoic acids. IR absorption spectra of

  摘要 研究了烷基苯甲酸 (FABA) 氟化衍生物 (FABA) 在 100-550 K 温度范围内的热力学和光谱特性。温度、相变焓和熵的实验值，以及不同温度和不同温度下氢键能的实验值。将物理（相）状态与烷基苯甲酸和氟烷基苯甲酸的物理（相）状态进行比较。所研究物质的 IR 吸收光谱是根据分子振动正常模式的频率、形状和强度的理论计算来解释的，使用相关化合物的已发表数据。所得信息用于构建结晶态 FABA 二聚分子的堆积模型，
• A route to fluoroalkyl-substituted aromatic compounds involving fluoroalkylcopper intermediates
  作者：V.C.R. Mcloughlin、J. Thrower

  DOI：10.1016/s0040-4020(01)83100-8

  日期：——
• The Synthesis and Mesomorphism of Mesogenic Imines with Fluorocarbon Chains and their Complexes with Rhenium(I): New Materials with Cubic Phases
  作者：Marie-Andrée Guillevic、Thomas Gelbrich、Michael B. Hursthouse、Duncan W. Bruce

  DOI：10.1080/10587250108025766

  日期：2001.6.1

  In this paper, we describe the synthesis of some imine ligands bearing fluorinated chains and their metal complexes with Re(I). Whereas related ligands with hydrocarbon chains show nematic and S-C phases, the new ligands show S-A and S-C phases. However, when both terminal chains are fully fluorinated, then the ligand additionally show a cubic phase. Metal complexes of the fluorinated ligands show a S-A phase before decomposing.The mesomorphism of both the complexes and the ligands is discussed and the formation of cubic phases in these imines is explored in relation to other materials showing a cubic phase.
• Fialkov, Yu. A.; Zalesskaya, I. M.; Yagupol'skii, L. M., Journal of Organic Chemistry USSR (English Translation), 1983, vol. 19, # 10, p. 1781 - 1787
  作者：Fialkov, Yu. A.、Zalesskaya, I. M.、Yagupol'skii, L. M.

  DOI：——

  日期：——