1,1,1,6,6,6-Hexafluor-hexan | 3834-39-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: 1,1,1,6,6,6-Hexafluor-hexan
• 英文别名: 1,1,1,6,6,6-Hexafluorohexane
• CAS: 3834-39-7
• 化学式: C₆H₈F₆
• 分子量: 194.12
• InChiKey: JVCQYWPFVBWOIW-UHFFFAOYSA-N

物化性质

• 沸点：
  99-101 °C
• 密度：
  1.232 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  12
• 可旋转键数：
  3
• 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：
  6

反应信息

• 作为产物：
  描述：

  己二酸 在 sulfur tetrafluoride 作用下， 生成 1,1,1,6,6,6-Hexafluor-hexan
  参考文献：
  名称：

  Dmowski,W.; Kolinski,R.A., Polish Journal of Chemistry, 1978, vol. 52, p. 71 - 85

  摘要：

  DOI：

文献信息

• The Chemistry of Sulfur Tetrafluoride. II. The Fluorination of Organic Carbonyl Compounds¹
  作者：W. R. Hasek、W. C. Smith、V. A. Engelhardt

  DOI：10.1021/ja01488a012

  日期：1960.2
• Fluorinated Paraffins
  作者：R. H. GROTH

  DOI：10.1021/jo01093a022

  日期：1959.11
• Fluorine Substitution Effects on the Alkyl Coupling Reaction on a Ag(111) Surface
  作者：Anumita Paul、Andrew J. Gellman

  DOI：10.1021/ja00140a023

  日期：1995.9

  We have investigated fluorine substitution effects on the rate of coupling of adsorbed alkyl groups on a Ag(111) surface. Alkyl groups are formed by thermal dissociation of the C-I bond in adsorbed alkyl iodides. Variable heating rate temperature programmed reaction (TPR) studies were used to determine the kinetic parameters for the coupling of ethyl groups and propyl groups. They are E(a) = 15.1 +/- 0.6 kcal/mol, nu = 10(16.7+/-0.8) s(-1), and E(a) 16.9 +/- 0.4 kcal/mol, nu = 10(17.1+/-0.4) s(-1), respectively. Substitution of fluorine for hydrogen in the adsorbed alkyl groups systematically raises the coupling reaction temperature. For example, trifluoropropyl groups self-couple at temperatures similar to 70 K higher than propyl groups on Ag(111). Coadsorbed propyl and trifluoropropyl groups cross; couple at temperatures similar to 10 K higher than the propyl self-coupling reaction. The kinetic parameters evaluated from the results of this study and from results of earlier studies by X.-L. Zhou, J. M. White, and co-workers [Surf. Sci. 1989, 219, 294; Catal. Lett. 1989, 2, 375; J. Phys. Chem. 1991, 95, 5575] are used to plot linear free energy relationships (LFER) which provide insight into the electronic nature of the reaction center. The implication of the LFER plots for the surface alkyl coupling reaction is that the reaction center in the transition state is electron deficient with respect to the initial state.
• Dobe, Sandor; Berces, Tibor; Marta, Ferenc, Acta Chimica Academiae Scientiarum Hungaricae, 1982, vol. 111, # 1, p. 43 - 58
  作者：Dobe, Sandor、Berces, Tibor、Marta, Ferenc

  DOI：——

  日期：——
• Substituent effects on the disproportionation-combination rate constant ratios for gas-phase halocarbon radicals. II. Reactions of ?CF3 +CF3CH2CH2? and CF3CH2CH2? + CF3CH2CH2?
  作者：Derek R. McDowell、Jennie Weston、Bert E. Holmes

  DOI：10.1002/(sici)1097-4601(1996)28:1<61::aid-kin8>3.0.co;2-k

  日期：——