Critical Review and Recommended Values for the Physical-Chemical Property Data of 15 Polycyclic Aromatic Hydrocarbons at 25 °C
Critical Review and Recommended Values for the Physical-Chemical Property Data of 15 Polycyclic Aromatic Hydrocarbons at 25 °C
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DOI：
10.1021/je900477x
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发表时间：
2010-02
影响因子：
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通讯作者：
Ying-ge Ma;Y. Lei;Hang Xiao;F. Wania;Wen-Hua Wang
中科院分区：
文献类型：
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作者：
Ying-ge Ma;Y. Lei;Hang Xiao;F. Wania;Wen-Hua Wang
准确的物理化学性质对于解释和模拟多环芳烃（PAHs）的环境归趋和迁移行为具有重要意义。一套完整的性能一致的属性数据（蒸汽压、水溶解度、辛醇溶解度、辛醇-水分配系数、辛醇-空气分配系数和空气-水分配系数）对15种多环芳烃[萘（Nap）、苊烯（Acy）、苊（Ace）、芴（Fluo）、菲（Phe）、蒽（Ant）、荧蒽（Flu）、芘（Pyr）、蒽（Chry）、苯并[a]蒽（BaA）、苯并[B]荧蒽（BbF）、苯并[k]荧蒽（BkF）、苯并[a]芘（BaP）、二苯并[a，h]蒽（DBA）、茚并[1，2，3-c，d]芘（IP）和苯并[g，h，i]二萘嵌苯（BghiP）]源自文献中报道的测量数据。首先，通过平均、回归和外推获得每种性质和化合物在25 °C下的文献衍生值（LDV）。然后，每个组合物的LDV…
Accurate physical-chemical properties are of fundamental importance for interpreting and simulating the environmental fate and transport behavior of polycyclic aromatic hydrocarbons (PAHs). A complete set of thermodynamically consistent property data (vapor pressure, aqueous solubility, octanol solubility, octanol−water partition coefficient, octanol−air partition coefficient, and air−water partition coefficient) for 15 PAHs [naphthalene (Nap), acenaphthylene (Acy), acenaphthene (Ace), fluorene (Fluo), phenanthrene (Phe), anthracene (Ant), fluoranthene (Flu), pyrene (Pyr), chrysene (Chry), benzo[a]anthracene (BaA), benzo[b]fluoranthene (BbF), benzo[k]fluoranthene (BkF), benzo[a]pyrene (BaP), dibenzo[a,h]anthracene (DBA), indeno[1,2,3-c,d]pyrene (IP), and benzo[g,h,i]perylene (BghiP)] is derived from measured data reported in the literature. First, literature-derived values (LDVs) at 25 °C for each property and compound are obtained by averaging, regression, and extrapolation. Then the LDVs for each compou...