乙氧氟草醚及其合成中间体的物性测定与计算

<正>含氟农药是当前国内外广受重视的新型农药。乙氧氟草醚（2-氯-4-三氟甲基苯基3’-乙氧基-4’-硝基苯基醚,Oxyfluorfen）就是一种高效、低残留、选择性好,水、旱田兼用的广谱性除草剂,该产品的研制被国家列入科研攻关项目。在实施工业化生产中,为了满足工程设计和能量计算等要求,需要提供与乙氧氟草醚相关的若干重要中间体的物性数据,

DETERMINATION AND CALCULATION OF THE PHYSICAL PROPERTIES FOR OXYFLUORFEN AND ITS SYNTHETIC INTERMEDIATES

Physical properties, such as dynamic viscosity, saturated vapor pressure, specific heat capacity, dissolution enthalpy, enthalpy of vaporization and standard gaseous enthalpy of formation for oxyfluorfen and its synthetic intermediates, were determined or calculated. The intermediates include 4 - chlorobenzotriflouride, 3,4- dichlorobenzotriflouride, 1, 3 - bis ( 2 - chloro - 4 - trifluomethyl phenoxy) benzene and 2,4 - bis(2 - chloro - 4 - trifluomethyl phenoxy) nitrobenzene. Tne quantum mechanics molecular models (AMI) and the application of group contribution method based on molecular structure were verified. The results have not been reported in the literature, and could provide chemical engineering design with fundamental data.