3,3-二乙基戊烷 | 1067-20-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 中文名称: 3,3-二乙基戊烷
• 中文别名: 四乙基甲烷
• 英文名称: tetraethylmethane
• 英文别名: 3,3-Diethylpentan；3,3-diethyl-pentane；3,3-Diaethyl-pentan；Tetraethylmethan；Tetraaethylmethan；3,3-Diethylpentane
• CAS: 1067-20-5
• 化学式: C₉H₂₀
• mdl: MFCD00053770
• 分子量: 128.258
• InChiKey: BGXXXYLRPIRDHJ-UHFFFAOYSA-N

物化性质

• 熔点：
  -33.03°C
• 沸点：
  146.19°C
• 密度：
  0.7500
• 蒸汽压力：
  7.30 mmHg
• 大气OH速率常数：
  4.95e-12 cm3/molecule*sec
• 保留指数：
  874;875.2;880.62;875.3;875.6;875;880;874.8;889.8;880;880;875.2
• 稳定性/保质期：
  存在于烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2901100000

反应信息

• 作为反应物：
  描述：

  3,3-二乙基戊烷 以15%的产率得到
  参考文献：
  名称：

  HUANG HSU-NAN; LAGOW R. J., BULL. SOC. CHIM. FR.,(1986) N 6, 993-1000

  摘要：

  DOI：
• 作为产物：
  描述：

  3-乙基-3-戊醇 在 氢碘酸 作用下， 生成 3,3-二乙基戊烷
  参考文献：
  名称：

  Morgan; Carter; Duck, Journal of the Chemical Society, 1925, vol. 127, p. 1253

  摘要：

  DOI：

文献信息

• Gas to liquid conversion process
  申请人：——

  公开号：US20030233019A1

  公开（公告）日：2003-12-18

  A process is disclosed for the conversion of lower molecular weight hydrocarbons, such as methane, into higher molecular weight hydrocarbon products, such as hydrocarbons having between 4 and 29 carbons. The process includes forming hydrated electrons, such as by mixing the lower molecular weight hydrocarbons with water and contacting the mixture with an energy source to form hydrated electrons. The hydrated electrons react with the methane to form hydrogen and higher molecular weight hydrocarbon products. Also disclosed is a related process for converting higher molecular weight hydrocarbons to lower molecular weight hydrocarbons by forming a mixture of higher molecular weight hydrocarbons and water and contacting the mixture with an energy source to form hydrated electrons that react with the higher molecular weight hydrocarbons to form hydrogen and lower molecular weight hydrocarbon products.

  揭示了一种将较低分子量碳氢化合物（如甲烷）转化为较高分子量碳氢化合物产品（如含有4至29个碳原子的碳氢化合物）的过程。该过程包括形成水合电子，例如通过将较低分子量碳氢化合物与水混合，并将混合物与能源接触以形成水合电子。水合电子与甲烷反应，形成氢气和较高分子量碳氢化合物产品。还揭示了一种相关的过程，用于将较高分子量碳氢化合物转化为较低分子量碳氢化合物，方法是形成较高分子量碳氢化合物和水的混合物，并将混合物与能源接触以形成与较高分子量碳氢化合物反应的水合电子，从而形成氢气和较低分子量碳氢化合物产品。
• Boord et al., Industrial and Engineering Chemistry, 1949, vol. 41, p. 615
  作者：Boord et al.

  DOI：——

  日期：——
• Molecular Structure of 3,3-Diethylpentane (Tetraethylmethane) in the Gas Phase As Determined by Electron Diffraction and ab Initio Calculations
  作者：Roger W. Alder、Paul R. Allen、Drahomír Hnyk、David W. H. Rankin、Heather E. Robertson、Bruce A. Smart、Ronald J. Gillespie、Ian Bytheway

  DOI：10.1021/jo981779m

  日期：1999.6.1

  The molecular structure of 3,3-diethylpentane (tetraethylmethane) in the gas phase has been determined by electron diffraction and ab initio calculations at the MP2/6-31G* level. Five local minima on the potential energy surface were located, but only two have significant populations at room temperature. The experimental distribution of conformers was found to be 66(2)% with D-2d symmetry and 34(2)% with S-4 symmetry, corresponding to an energy difference Delta H degrees in favor of the D-2d form of 3.3(2) kJ mol(-1). The molecule shows significant distortion from regular tetrahedral coordination at the central carbon atom, with two CCC angles in the D-2d form reduced to 106.7(8)degrees and two angles in the Sq form increased to 110.9(4)degrees. These distortions are attributed to asymmetry of the electron density distribution around the CH2 groups.
• Mathot, Bulletin des Societes Chimiques Belges, 1950, vol. 59, p. 111,118, 120, 127, 128
  作者：Mathot

  DOI：——

  日期：——
• Gomzina, N. A.; Kochina, T. A.; Nefedov, V. D., Russian Journal of General Chemistry, 1994, vol. 64, # 4.2, p. 574 - 577
  作者：Gomzina, N. A.、Kochina, T. A.、Nefedov, V. D.、Sinotova, E. N.

  DOI：——

  日期：——

表征谱图