1-乙基-丁基 | 19414-29-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 中文名称: 1-乙基-丁基
• 英文名称: 1-ethyl-butyl
• 英文别名: Hex-3-yl
• CAS: 19414-29-0
• 化学式: C₆H₁₃
• 分子量: 85.1692
• InChiKey: RWJVAYJPJKGRFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  6
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-乙基-丁基 生成 甲基自由基 、 戊烯
  参考文献：
  名称：

  Intramolecular vibrational relaxation in hexyl‐3 radicals

  摘要：

  Chemically activated hexyl-3 radicals, excited to 43 kcal mole−1, that decomposes to pentene-1(P-11) and butene-1(B-1) are studied. (AIP)

  DOI：

  10.1063/1.443120
• 作为产物：
  描述：

  环己三烯 、 正己烷 生成 1-乙基-丁基
  参考文献：
  名称：

  LIU YANG; LI ERCHENG; XU GUANGZHI, ACTA SCI. CIRCUMSTANTIAE, 6,(1986) N 3, 358-363

  摘要：

  DOI：

文献信息

• Structure and reactivity of perfluorinated branched α-ketoradicals
  作者：B.L. Tumanskii、E.N. Shaposhnikova、E.A. Avetisyan、R.S. Sterlin

  DOI：10.1016/s0022-1139(98)00319-4

  日期：1999.6

  Fluoroaliphatic hydroxyketoradicals prepared by photochemical reduction of the corresponding α-diketones and (i-C3F7)2C⋅C(O)CF3 react with hydrogen abstraction (according to ESR data). The hydroxyketoradicals are shown to dimerize reversibly, and the dimerization rate decreases in the presence of polyfluorinated alcohols due to the formation of radical–alcohol complexes.

  氟脂hydroxyketoradicals制备由相应的α二酮的光化学还原和（我-C 3 ˚F 7）2 Ç ⋅ C（O）CF 3与夺氢反应（根据ESR数据）。羟基酮三醇可逆地二聚，由于存在自由基-醇配合物，在存在多氟醇的情况下，二聚率降低。
• Reactions of Atomic Oxygen (3P) with Selected Alkanes
  作者：Akira Miyoshi、Kentaro Tsuchiya、Noboru Yamauchi、Hiroyuki Matsui

  DOI：10.1021/j100095a031

  日期：1994.11

  Rate constants for the reactions of atomic oxygen (P-3) With selected alkanes (C-2-C-6 Straight chain alkanes, C-C6H12, neo-C5H12, and i-C4H10) have been determined directly by a laser photolysis-shock tube-atomic resonance absorption method at high temperatures (850-1250 K). For n-C6H14 and c-C6H12, rate constants have been also determined at lower temperatures (296-400 K) by a laser photolysis-vacuum ultraviolet laser-induced fluorescence method. Present results agree with the TST calculation by Cohen and Westberg [Int. J. Chem. Kinet. 1986, 18, 99] within experimental error limits except for O + c-C6H12 and O + neo-C5H12. The group additivity of the rate constants for different C-H bonds (primary, secondary, and tertiary) is examined and neo-C5H12 and c-C6H12 are found to be good representatives of primary and secondary C-H bonds, respectively, for C-4 and larger alkanes. A trial is made to investigate the J dependence of reactivity of atomic oxygen (P-3(J)) With c-C6H12 to examine the adiabatic correlation of reactants and products. No evidence for such J dependence can be observed due to the rapid relaxation among the spin-orbit components. Rate constants for the intratriplet relaxation processes are evaluated for He as a collision partner.
• Tilman, P.; Tilquin, B.; Claes, P., Journal de Chimie Physique et de Physico-Chimie Biologique, 1982, vol. 79, # 9, p. 629 - 632
  作者：Tilman, P.、Tilquin, B.、Claes, P.

  DOI：——

  日期：——
• Paramagnetic relaxation of alkyl radicals in solid alkanes as studied by electron spin echo method: possibility of high-resolution solid-state ESR
  作者：Tsuneki Ichikawa

  DOI：10.1021/j100317a014

  日期：1988.3