Buckminsterfullerene's (C60) octanol-water partition coefficient (Kow) and aqueous solubility
Buckminsterfullerene's (C60) octanol-water partition coefficient (Kow) and aqueous solubility
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DOI：
10.1021/es702809a
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发表时间：
2008-08-15
影响因子：
11.4
通讯作者：
Kulkarni, Pradnya P.
中科院分区：
文献类型：
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作者：
Jafvert, Chad T.;Kulkarni, Pradnya P.
为了评估富勒烯C（60）在环境中的风险和归宿，其在各种系统中的水溶性和分配系数是有用的。在本研究中，测得C（60）的log K（ow）为6.67，测得甲苯-水分配系数为log K（tw）= 8.44。根据这些值和C（60）在水饱和的辛醇和水饱和的甲苯中的各自溶解度，计算出C（60）在有机溶剂饱和的水相中的水溶解度为7.96 ng/L（1.11 × 10（-11）M）。此外，在乙醇-水和四氢呋喃-水的混合物中测量C（60）的溶解度，并用Wohl方程建模以确认计算的溶解度值的准确性。生成器柱实验的结果强烈支持以下假设，即在低于或接近该计算的溶解度的水溶液浓度下形成簇。将K（ow）值与其他疏水性有机化合物的K（ow）值进行比较，并根据K（ow）值估算C（60）的生物浓缩系数。
To assess the risk and fate of fullerene C(60) in the environment, its water solubility and partition coefficients in various systems are useful. In this study, the log K(ow) of C(60) was measured to be 6.67, and the toluene-water partition coefficient was measured at log K(tw) = 8.44. From these values and the respective solubilities of C(60) in water-saturated octanol and water-saturated toluene, C(60)'s aqueous solubility was calculated at 7.96 ng/L(1.11 x 10(-11) M)for the organic solvent-saturated aqueous phase. Additionally, the solubility of C(60) was measured in mixtures of ethanol-water and tetrahydrofuran-water and modeled with Wohl's equation to confirm the accuracy of the calculated solubility value. Results of a generator column experiment strongly support the hypothesis that clusters form at aqueous concentrations below or near this calculated solubility. The K(ow) value is compared to those of other hydrophobic organic compounds, and bioconcentration factors for C(60) were estimated on the basis of K(ow).