diheptyl 2,2'-oxydiacetate | 1093098-57-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diheptyl 2,2'-oxydiacetate
• 英文别名: Diglycolic acid, di(heptyl) ester；heptyl 2-(2-heptoxy-2-oxoethoxy)acetate
• CAS: 1093098-57-7
• 化学式: C₁₈H₃₄O₅
• 分子量: 330.465
• InChiKey: YMHGIXBQZKQDDA-UHFFFAOYSA-N

物化性质

• 沸点：
  409.3±20.0 °C(Predicted)
• 密度：
  0.974±0.06 g/cm3(Predicted)
• 保留指数：
  2758

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  23
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  正庚醇 、 2,2'-氧化二乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 diheptyl 2,2'-oxydiacetate
  参考文献：
  名称：

  Solubilities of Diglycolic Acid Esters in Supercritical Carbon Dioxide

  摘要：

  A series of new CO2-soluble diglycolic acid esters were designed and synthesized, and their structures were confirmed by IR, NMR, and elemental analysis. The solubilities of compounds were measured at temperatures ranging from (313 to 333) K and pressures from (8.5 to 19.3) MPa in supercritical carbon dioxide. All of the newly synthesized esters showed good to high solubility (as high as 1.25 mol % for compound 1) in supercritical CO2 at easily accessible temperatures and pressures. The measured solubility data were correlated using a semiempirical model. Consequently, the calculated results showed satisfactory agreement with the experimental data and differed from the measured values by between (3.18 and 19.58) %.

  DOI：

  10.1021/je800683e

文献信息

• Solubilities of Diglycolic Acid Esters in Supercritical Carbon Dioxide
  作者：Yaoping Xie、Hai-Jian Yang、Wei Wang、Rong Chen

  DOI：10.1021/je800683e

  日期：2009.1.8

  A series of new CO2-soluble diglycolic acid esters were designed and synthesized, and their structures were confirmed by IR, NMR, and elemental analysis. The solubilities of compounds were measured at temperatures ranging from (313 to 333) K and pressures from (8.5 to 19.3) MPa in supercritical carbon dioxide. All of the newly synthesized esters showed good to high solubility (as high as 1.25 mol % for compound 1) in supercritical CO2 at easily accessible temperatures and pressures. The measured solubility data were correlated using a semiempirical model. Consequently, the calculated results showed satisfactory agreement with the experimental data and differed from the measured values by between (3.18 and 19.58) %.