Technische Universität München, Research Center Weihenstephan for Brewing and Food Quality, Freising, Germany.
Environ Sci Technol. 2011 Apr 1;45(7):2842-9. doi: 10.1021/es103098b. Epub 2011 Mar 1.
Log octanol-water partition coefficients (log Kow) of 40 synthesized polychlorinated n-alkanes (PCAs) with different chlorination degrees were determined using reversed-phase high performance liquid chromatography (RP-HPLC). In addition, log Kow values of a technical mixture namely Cereclor 63L as well as 15 individual in house synthesized C10, C11, and C12 chloroalkanes with known chlorine positions were estimated. Based on these results, the effects of chain length, chlorination degree, and structure were explored. The estimated log Kow values ranged from 4.10 (polychlorinated n-decanes with 50.2% chlorine content) to 11.34 (polychlorinated n-octacosanes with 54.8% chlorine content) for PCAs and from 3.82 (1,2,5,6,9,10-hexachlorodecane) to 7.75 (1,1,1,3,9,11,11,11-octachlorododecane) for the individual chloroalkanes studied. The results showed that log Kow value was influenced linearly at a given chlorine content by chain length, while a polynominal effect was observed in dependence on the chlorination degree of an alkane chain. Chlorine substitution pattern influenced markedly the log Kow value of chloroalkanes.
使用反相高效液相色谱法（RP-HPLC）测定了 40 种不同氯化度的合成多氯正烷烃（PCAs）的辛醇-水分配系数（log Kow）。此外，还估算了技术混合物 Cereclor 63L 以及 15 种已知氯位的自制 C10、C11 和 C12 氯代烷烃的 log Kow 值。基于这些结果，探讨了链长、氯化度和结构的影响。PCAs 的估算 log Kow 值范围为 4.10（50.2%氯含量的多氯代正癸烷）至 11.34（54.8%氯含量的多氯代正二十八烷），而研究的单个氯代烷烃的估算 log Kow 值范围为 3.82（1,2,5,6,9,10-六氯代癸烷）至 7.75（1,1,1,3,9,11,11,11-八氯代十二烷）。结果表明，在给定的氯含量下，log Kow 值受链长线性影响，而烷链氯化度的影响则呈多项式。氯取代模式对氯代烷烃的 log Kow 值有显著影响。
