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Descriptors for fluorotelomere alcohols. Calculation of physicochemical properties
Physics and Chemistry of Liquids ( IF 1.2 ) Pub Date : 2021-02-21 , DOI: 10.1080/00319104.2021.1888094 Michael H Abraham 1 , William E. Acree 2
中文翻译:
氟端粒醇的描述符。理化性质的计算
更新日期:2021-02-21
Physics and Chemistry of Liquids ( IF 1.2 ) Pub Date : 2021-02-21 , DOI: 10.1080/00319104.2021.1888094 Michael H Abraham 1 , William E. Acree 2
Affiliation
ABSTRACT
Abraham model solute descriptors are calculated for several environmentally important fluorotelomer alcohols from published partition coefficient and solubility data. The various descriptors all show a gradual trend from 1:2FTOH to 8:2FTOH. The maximum deviation from self-consistent values is 0.19 log units in the calculations on vapour pressure (concentration in air) and solubility in water (concentration in water).
中文翻译:
氟端粒醇的描述符。理化性质的计算
摘要
Abraham 模型溶质描述符是根据已公布的分配系数和溶解度数据计算的几种环境重要的含氟调聚物醇。各种描述符都显示出从 1:2FTOH 到 8:2FTOH 的逐渐趋势。在计算蒸气压(空气中的浓度)和水中的溶解度(水中的浓度)时,与自洽值的最大偏差为 0.19 log 单位。