1-methyl-octyl | 31605-07-9

• 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-octyl
• 英文别名: 2-Nonyl-Radikal
• CAS: 31605-07-9
• 化学式: C₉H₁₉
• 分子量: 127.25
• InChiKey: YCVMXFHVXJKNCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.57
• 重原子数：
  9.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  正壬烷 以 solid 为溶剂， 生成 1-methyl-octyl
  参考文献：
  名称：

  Photoinduced Isomerization of Alkyl Radicals Trapped in Solid Alkanes

  摘要：

  Photoinduced isomerization of alkyl radicals trapped in gamma-irradiated 77 K solid alkanes has been studied using electron spin resonance method. Alkyl radicals trapped in the crystalline solids of n-alkanes from n-C8H18 to n-C13H28 and in the glassy solids of 2- and 3-methylheptanes have been measured. Interior radicals (-CH2CHCH2-) trapped in the orthorhombic crystals of n-alkanes are converted to primary radicals (CH2CH2-) with irradiation of 254 nm light, whereas the interior alkyl radicals in the triclinic crystals of n-alkanes are converted to penultimate alkyl radicals (CH3CHCH2-) This selectivity of photoconversion is explained by the initial formation of the primary radicals in both the crystals and thermal radical conversion to the penultimate alkyl radicals in the triclinic crystals. Selective photoisomerization to primary radicals (CH2C7H15) has also been observed for penultimate radicals (CH3CHC6H13) trapped in gamma-irradiated 2- and 3-methylheptanes. Excited alkyl radicals trapped in solid alkanes hence initially isomerize to primary radicals regardless of the structure of the solids.

  DOI：

  10.1021/j100094a016

文献信息

• Role of defects in radiation chemistry of crystalline organic materials. 2. Effective and selective formation of solute radicals and its dependence on the carbon-chain difference in the radiolysis products of CmH2m+2/C10D22 normal hydrocarbon mixed crystals as studies by ESR spectroscopy
  作者：Hachizo. Muto、Keichi. Nunome、Mitsuharu. Fukaya

  DOI：10.1021/j100364a070

  日期：1990.1
• Photoinduced Isomerization of Alkyl Radicals Trapped in Solid Alkanes
  作者：Hitoshi Koizumi、Shin Kosugi、Hiroshi Yoshida

  DOI：10.1021/j100094a016

  日期：1994.10

  Photoinduced isomerization of alkyl radicals trapped in gamma-irradiated 77 K solid alkanes has been studied using electron spin resonance method. Alkyl radicals trapped in the crystalline solids of n-alkanes from n-C8H18 to n-C13H28 and in the glassy solids of 2- and 3-methylheptanes have been measured. Interior radicals (-CH2CHCH2-) trapped in the orthorhombic crystals of n-alkanes are converted to primary radicals (CH2CH2-) with irradiation of 254 nm light, whereas the interior alkyl radicals in the triclinic crystals of n-alkanes are converted to penultimate alkyl radicals (CH3CHCH2-) This selectivity of photoconversion is explained by the initial formation of the primary radicals in both the crystals and thermal radical conversion to the penultimate alkyl radicals in the triclinic crystals. Selective photoisomerization to primary radicals (CH2C7H15) has also been observed for penultimate radicals (CH3CHC6H13) trapped in gamma-irradiated 2- and 3-methylheptanes. Excited alkyl radicals trapped in solid alkanes hence initially isomerize to primary radicals regardless of the structure of the solids.