β-hydroxyethyl peroxy radical | 40135-01-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-hydroxyethyl peroxy radical
• 英文别名: Hoch2CH2O2
• CAS: 40135-01-1
• 化学式: C₂H₅O₃
• 分子量: 77.0599
• InChiKey: AONOSQAJVFLOQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  β-hydroxyethyl peroxy radical 生成 乙二醇 、 羟乙醛
  参考文献：
  名称：

  The temperature dependence of the rate coefficients for ?-hydroxyperoxy radical self reactions

  摘要：

  DOI：

  10.1002/(sici)1097-4601(1997)29:5<323::aid-kin2>3.0.co;2-w
• 作为产物：
  描述：

  乙烯 在 双氧水 、 氧气 作用下， 生成 β-hydroxyethyl peroxy radical
  参考文献：
  名称：

  伯，仲和叔β-羟基过氧自由基的反应动力学

  摘要：

  β，羟基和叔羟基伯羟基HOCH 2 CH 2 O 2，CH 3 CH（OH）CH（O 2）CH 3和（CH 3）2 C（OH）的紫外吸收光谱和反应动力学已经使用分子调制（MM）和激光闪光光解（LFP）技术研究了298 K或附近的C（O 2）（CH 3）2。自由基是由含有H 2 O 2和一种对称单烯烃乙烯（E的混合物）的UV光解（254或248 nm）产生的。）-丁-2-烯和2,3-二甲基丁-2-烯，在空气中稀释。发现CH 3 CH（OH）CH（O 2）CH 3和（CH 3）2 C（OH）C（O 2）（CH 3）2的光谱与以前对HOCH 2 CH的测量非常相似2 ø 2，具有的最大横截面CA。245 nm处4×10 –18 cm 2分子–1。在高单烯烃浓度下，观察到的过氧自由基（RO 2）的二级去除提供了k 3obs的值对于HOCH 2 CH 2 O 2，CH 3 CH（OH）CH（O 2）CH

  DOI：

  10.1039/ft9959101911

文献信息

• Formation of hydroxyl and hydroperoxy radicals in the gas-phase ozonolysis of ethene
  作者：D Mihelcic、M Heitlinger、D Kley、P Müsgen、A Volz-Thomas

  DOI：10.1016/s0009-2614(99)00057-3

  日期：1999.3

  Ozonolysis of alkenes is thought be a significant source of free radicals (OH and HO2) in the atmosphere. Although studied for many years, the reaction mechanism and the product yields are still very much under discussion. We report measurements of the production of HO2 radicals from the reaction of O-3 with ethene using matrix isolation and electron-spin-resonance spectroscopy (MIESR). Formation of OH radicals was established by conversion of OH to HO2 via reaction with CO. The OH yield is 20 +/- 2%, the HO2 yield is 39 +/- 3%. Our measurements suggest that the Criegee intermediate in the ground state is not a radical. (C) 1999 Elsevier Science B.V. All rights reserved.
• Spectrum and mutual kinetics of .beta.-hydroxyethylperoxo radicals
  作者：C. Anastasi、D. J. Muir、V. J. Simpson、P. Pagsberg

  DOI：10.1021/j100168a016

  日期：1991.7

  Beta-Hydroxyethyl peroxy radicals have been studied by using pulse radiolysis to generate the radicals and kinetic absorption to monitor their formation and decay. The ultraviolet absorption spectrum assigned to HOCH2CH2O2 is broadband in nature with a maximum absorption cross section of 3.5 (+/- 0.6) x 10(-18) cm2 molecule-1 at 230 nm. An overall rate constant for the self-reaction 2HOCH2CH2O2 --> HOCH2CH2OH + HOCH2CHO + O2 (3a), 2HOCH2CH2O2 --> 2HOCH2CH2O + O2 (3b) of k3 = 7.7 (+/- 1.2) x 10(-12) cm3 molecule-1 s-1 was measured at room temperature together with an estimation of the branching ratio, k3a/k3 = 0.75 (+/- 0.1).
• Kinetics of reactions of methylperoxy and 2-hydroxyethylperoxy radicals produced by the photolysis of iodomethane and 2-iodoethanol
  作者：Michael E. Jenkin、Richard A. Cox

  DOI：10.1021/j100161a049

  日期：1991.4

  The molecular modulation technique coupled with UV absorption spectroscopy has been used to investigate the UV spectra and kinetics of reactions of the methylperoxy radical (CH3O2) and the 2-hydroxyethylperoxy radical (HOCH2CH2O2), generated by the 254-nm photolysis of the organic iodides CH3I and HOCH2CH2I: RI + h-nu(lambda = 254 nm) --> R + I (7) and R + O2 + M --> RO2 + M (8). Measurements of the UV spectra of both RO2 radicals were complicated by the production of additional transient species absorbing strongly at wavelengths above 240 nm. These are believed to be CH3OOI and HOCH2CH2OOI formed as intermediates in the RO2-chaperoned recombination of iodine atoms. Both CH3O2 and HOCH2CH2O2 were found to obey second-order kinetic behavior owing to removal by a series of reactions initiated by the self-reactions: CH3O2 + CH3O2 --> products (9) and HOCH2CH2O2 + HOCH2CH2O2 --> products (10). The parameter k9obs/sigma (where k9obs is the observed second-order rate coefficient) had a value of (1.01 +/- 0.09) x 10(5) cm s-1 at 230 nm, independent of pressure in the range 10.8-760 Torr, at 298 K. Additional measurements made over the temperature range 268-350 K indicated that this parameter displays a weak negative temperature dependence. E/R was found to have a value of -220 +/- 72 K at 760 Torr, and a value of -92 +/- 53 K at 10.8 Torr. The parameter k10obs/sigma had a value of (6.8 +/- 0.4) x 10(5) cm s-1 at 230 nm (p = 760 Torr, T = 298 K). Assuming the photolysis of HOCH2CH2I leads exclusively to the production of HOCH2CH2O2, the following values of sigma(230 nm) and k10obs were concluded: sigma(230nm) = (2.35 +/- 0.25) x 10(-18) cm2 molecule-1 and k10obs = (1.60 +/- 0.17) x 10(-12) cm3 molecule-1 s-1. At lower pressures, HO2 was also generated in the HOCH2CH2I system in significant quantities, enabling investigation of reaction 11 at 10 Torr and 298 K: HOCH2CH2O2 + HO2 --> products (11). A value of k11 = (4.8 +/- 1.5) x 10(-12) cm3 molecule-1 s-1 was concluded from these measurements, based on the above value of sigma(230 nm).
• The temperature dependence of the rate coefficients for ?-hydroxyperoxy radical self reactions
  作者：Andrew A. Boyd、Robert Lesclaux

  DOI：10.1002/(sici)1097-4601(1997)29:5<323::aid-kin2>3.0.co;2-w

  日期：——
• Kinetics of reactions of primary, secondary and tertiary β-hydroxy peroxyl radicals
  作者：Michael E. Jenkin、Garry D. Hayman

  DOI：10.1039/ft9959101911

  日期：——

  The UV absorption spectra and kinetics of reactions of the primary, secondary and tertiary β-hydroxy peroxyl radicals HOCH2CH2O2, CH3CH(OH)CH(O2)CH3 and (CH3)2C(OH)C(O2)(CH3)2 at or near 298 K have been studied using both the molecular modulation (MM) and the laser flash photolysis (LFP) techniques. The radicals were produced by the UV photolysis (254 or 248 nm) of mixtures containing H2O2 and one

  β，羟基和叔羟基伯羟基HOCH 2 CH 2 O 2，CH 3 CH（OH）CH（O 2）CH 3和（CH 3）2 C（OH）的紫外吸收光谱和反应动力学已经使用分子调制（MM）和激光闪光光解（LFP）技术研究了298 K或附近的C（O 2）（CH 3）2。自由基是由含有H 2 O 2和一种对称单烯烃乙烯（E的混合物）的UV光解（254或248 nm）产生的。）-丁-2-烯和2,3-二甲基丁-2-烯，在空气中稀释。发现CH 3 CH（OH）CH（O 2）CH 3和（CH 3）2 C（OH）C（O 2）（CH 3）2的光谱与以前对HOCH 2 CH的测量非常相似2 ø 2，具有的最大横截面CA。245 nm处4×10 –18 cm 2分子–1。在高单烯烃浓度下，观察到的过氧自由基（RO 2）的二级去除提供了k 3obs的值对于HOCH 2 CH 2 O 2，CH 3 CH（OH）CH（O 2）CH