n-octyl radical | 4606-96-6

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: n-octyl radical
• 英文别名: 1-octyl radical；Octyl derivatized silica
• CAS: 4606-96-6
• 化学式: C₈H₁₇
• 分子量: 113.223
• InChiKey: AUNGTSCVKGQIAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  8
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  n-octyl radical 以 溴乙烷 为溶剂， 生成 4-heptyl radical
  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：
• 作为产物：
  描述：

  正辛烷 在 叔丁基过氧化氢 作用下， 818.9 ℃ 、115.62 kPa 条件下， 生成 n-octyl radical
  参考文献：
  名称：

  Shock tube study of OH reactions with linear hydrocarbons near 1100 K

  摘要：

  DOI：

  10.1002/(sici)1097-4601(1996)28:2<79::aid-kin2>3.0.co;2-i

文献信息

• Absolute rate expressions for the abstraction of hydrogen by primary, secondary, and tertiary alkyl radicals from thiophenol
  作者：James A. Franz、Bruce A. Bushaw、Mikhail S. Alnajjar

  DOI：10.1021/ja00183a040

  日期：1989.1

  = 2.303RT kcal/mol; isopropyl, log (k/Msup minus}1} ssup minus}1}) = (9.26 plus minus} 0.19) - (1.70 plus minus} 0.21)/theta}; tert-butyl, log (k/Msup minus}1} ssup minus}1}) = (9.26 plus minus} 0.26) - (1.50 plus minus} 0.20)/theta}. Rate constants at 298 K vary from 0.8 times} 10sup 8} to 1.5 times} 10sup 8} Msup minus}1} ssup minus}1} for the hydrogen-transfer reactions. 32

  用动力学吸收光谱 (KAS) 确定叔丁基、异丙基、正丁基和正辛基自由基从壬烷中的苯硫酚中提取氢的绝对速率表达式。烷基自由基是通过二烷基二硫化物的光解或二叔丁基过氧化物和三烷基膦在苯硫酚存在下的光解产生的。从 225 到 355 K，膦法中烷基的铼表达式如下：正丁基，log (k/Msup minus}1} ssup minus}1}) = (9.40 plus minus} 0.13) - (1.74 加减} 0.21)/theta}, theta} = 2.303RT kcal/mol; 异丙基，log (k/Msup minus}1} ssup minus}1}) = (9.26 plus minus} 0.19) - (1.70 plus minus} 0.21)/theta}；叔丁基，log (k/Msup minus}1} ssup minus}1})
• Formation and homolysis of organonickel(III) complexes
  作者：Douglas G. Kelley、Adam Marchaj、Andreja Bakac、James H. Espenson

  DOI：10.1021/ja00020a020

  日期：1991.9

  The reactions of Ni(1,4,8,11-tetraazacyclotetradecane)2+ with alkyl radicals were studied. Data were collected for the R,R,S,S (or beta) and R,R,R,R (or alpha) isomers. The reactions form sigma-bonded organometallic cations, as in the equation NiL2+ + R. + H2O reversible RNiL(H2O)2+. The values of the rate constants for the forward (colligation) and reverse (homolysis) reactions were measured separately by laser flash photolysis techniques with a kinetic probe. The values of k(col) lie in the order CH3 >> primary >> secondary, and just the reverse order applies to k(hom). Thus the equilibrium constants for formation of RNiL(H2O)2+, given by k(col)/k(hom), are most favorable for methyl and least favorable for secondary alkyls. These nickel-alkyl bonds are much weaker than those in corresponding cobalt and chromium complexes. For that reason, values of k(col) vary widely with the nature of R.. Values of k(col) are considerably higher for alpha-Ni(cyclam)2+ than for the beta-isomer, and the reverse order applies to k(hom). Also, the alpha-isomer has the highest equilibrium constant for the formation equilibrium. The kinetic and thermodynamic trends can be rationalized by structural effects.
• On the Removal of Metallic Mirrors by Free Radicals
  作者：Francis Owen Rice、Joan Tweedell

  DOI：10.1002/bbpc.19870911003

  日期：1987.10

  AbstractLarge Radicals can be formed by passing chlorinated organic compounds at pressures of a few ram., through a furnace containing a pellet of sodium and heated to 350–400°C. It seems to us that the only radicals that will remove metallic mirrors (of tellurium or antimony, etc., previously deposited beyond the furnace) are those that can decompose into methyl or ethyl radicals plus an unsaturated molecule, without undergoing any transmigration of atoms.
• McCarroll, Andrew J.; Walton, John C., Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 12, p. 2399 - 2409
  作者：McCarroll, Andrew J.、Walton, John C.

  DOI：——

  日期：——
• Rate constants for halogen atom transfer from representative .alpha.-halo carbonyl compounds to primary alkyl radicals
  作者：Dennis P. Curran、Eric Bosch、Jere Kaplan、Martin Newcomb

  DOI：10.1021/jo00269a016

  日期：1989.4