2,2-Dimesitylethenyl acetate | 163400-78-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-Dimesitylethenyl acetate
• 英文别名: acetic acid-(2,2-dimesityl-vinyl ester)；Essigsaeure-(2,2-dimesityl-vinylester)；Essigsaeure-[2.2-bis-(2.4.6-trimethyl-phenyl)-vinylester]；2-Acetoxy-1.1-bis-(2.4.6-trimethyl-phenyl)-aethylen；2-Acetoxy-1.1-dimesityl-aethylen；(2.2-Dimesityl-vinyl)-acetat；2,2-Bis(2,4,6-trimethylphenyl)ethenyl acetate
• CAS: 163400-78-0
• 化学式: C₂₂H₂₆O₂
• 分子量: 322.447
• InChiKey: QPKQGKGBPVMNEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-Dimesitylethenyl acetate 在 臭氧 作用下， 生成 2,2-bis(2,4,6-trimethylphenyl)acetic acid
  参考文献：
  名称：

  Simplified Model for the Operation of Chilled Water Cooling Coils Under Nonnominal Conditions

  摘要：

  This study presents a cooling coil model for calculating energy consumption in air-conditioned buildings that has a minimal number of inputs. The model accurately determines the cooling energy rate and dehumidification energy rate tinder nonnominal conditions, and takes into account operation tinder variable air and water flows. In this manner, the model enhances the simplified ASHRAE Toolkit model without requiring more input data. The main assumptions are justified considering the common existing configurations of cooling coils in the air-conditioning industry. The parameters of the model are identified from only one nominal rating point. The model has been validated on a VAV facility with an average deviation of 5% for total energy rate. Errors are mainly due to the assumption that the coil is either completely wet or dry even if the surface is partially wet.

  DOI：

  10.1080/10789669.2002.10391433
• 作为产物：
  描述：

  2,2-dimesityl-vinyl alcohol 生成 2,2-Dimesitylethenyl acetate
  参考文献：
  名称：

  Simplified Model for the Operation of Chilled Water Cooling Coils Under Nonnominal Conditions

  摘要：

  This study presents a cooling coil model for calculating energy consumption in air-conditioned buildings that has a minimal number of inputs. The model accurately determines the cooling energy rate and dehumidification energy rate tinder nonnominal conditions, and takes into account operation tinder variable air and water flows. In this manner, the model enhances the simplified ASHRAE Toolkit model without requiring more input data. The main assumptions are justified considering the common existing configurations of cooling coils in the air-conditioning industry. The parameters of the model are identified from only one nominal rating point. The model has been validated on a VAV facility with an average deviation of 5% for total energy rate. Errors are mainly due to the assumption that the coil is either completely wet or dry even if the surface is partially wet.

  DOI：

  10.1080/10789669.2002.10391433

文献信息

• Electroactive Protecting Groups and Reaction Units. Part 1. Mesolytic Cleavage of the O-CO Bond in Enol Acetate Cation Radicals with Direct Formation of .alpha.-Carbonyl Cations. Mechanistic and Synthetic Aspects
  作者：Michael Schmittel、Juergen Heinze、Holger Trenkle

  DOI：10.1021/jo00114a020

  日期：1995.5

  For the first time, enol ester cation radicals are reversibly monitored in a cyclic voltammetry experiment. Preparative one-electron oxidation of enol acetates A1-A4 leads to the formation of benzofurans B1-B4 through mesolytic O-CO bond fragmentation to alpha-carbonyl cations and the acetyl radical. With A3(.+), the kinetics of the O-CO bond cleavage was investigated by cyclic voltammetry, providing Delta H double dagger = 17.0 kcal mol(-1) and Delta S double dagger = 11 cal mol(-1) K-1 in dichloromethane. The slightly increased rate of bond dissociation upon addition of acetonitrile is explained with charge localization in the transition state rather than with a solvent-assisted bond cleavage mechanism. The occurrence of curve crossings and isopotential points in the cyclic voltammograms of the model compounds A1-A4 at low scan rates can be rationalized by a multiparameter reaction scheme based on an ECCE(DISP) mechanism, digital simulation of which confirmed the cleavage selectivity and allowed for the determination of the involved rate constants of the homogeneous chemical reaction steps.