1-methyl-pentyl | 2493-44-9

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: 1-methyl-pentyl
• 英文别名: 2-Hexyl-Radikal；2-Hexyl radical
• CAS: 2493-44-9
• 化学式: C₆H₁₃
• 分子量: 85.1692
• InChiKey: UKTLNAIDPLDTPZ-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

• 作为产物：
  描述：

  1-己基自由基 以 溴乙烷 为溶剂， 生成 1-methyl-pentyl
  参考文献：
  名称：

  Shostenko, A. G.; Tarasova, N. P.; Myshkin, V. E., Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 11, p. 2065 - 2068

  摘要：

  DOI：

文献信息

• ESR Study on Free Radicals Produced from Hexane by Vacuum-Ultraviolet Photolysis, Sensitized Photolysis, and γ-Radiolysis
  作者：Hitoshi Koizumi、Takehito Yamaguchi、Hiroshi Yoshida

  DOI：10.1246/bcsj.64.1008

  日期：1991.3

  The free radicals generated from polycrystalline hexane at 77 K by photolysis with vacuum-ultraviolet light, sensitized photolysis, and γ-radiolysis were compared with each others using the ESR method. The selectivity of radical formation was found to depend on the excitation method.

  使用 ESR 方法比较了多晶己烷在 77 K 下通过真空紫外光光解、敏化光解和 γ 辐射产生的自由基。发现自由基形成的选择性取决于激发方法。
• Chemically-induced dynamic electron polarization study of the rates of hydrogen abstraction reactions of carbonyls: position dependence and deuterium effect
  作者：Keisuke Tominaga、Seigo Yamauchi、Noboru Hirota

  DOI：10.1021/j100162a043

  日期：1991.5

  Using time-resolved EPR, we have investigated the hydrogen abstraction reaction of carbonyls, especially acetone, with alkanes and 2-propanol to examine the position and type dependence of the reaction and the reaction mechanism. It is concluded that all the secondary hydrogens at different positions of alkanes are abstracted at almost equal rates, which cannot be explained by a simple MO theory. The results for the reactivities of the hydrogens of the different types are consistent with related studies, i.e., k1/k2 less-than-or-equal-to 0.1 and k2/k3 congruent-to 0.1, where k1, k2, and k3 are abstraction rate constants for primary, secondary, and tertiary hydrogens, respectively. As for the deuterium isotope effects on the reaction rates of acetone and cyclopentanone with 2-propanol, k(H)/k(D), are found to be around 3-4 with no significant temperature dependence. The implication of this result is briefly discussed.
• 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.
• Boehland, T.; Dobe, S.; Temps, F., Berichte der Bunsen-Gesellschaft, 1985, vol. 89, p. 1110 - 1116
  作者：Boehland, T.、Dobe, S.、Temps, F.、Wagner, H. Gg.

  DOI：——

  日期：——
• 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：——