Abstract
Liposome-water partitioning coefficients, (Klipw s), were determined for eight pure alcohol ethoxylates using equilibrium dialysis and ultracentrifugation. Both methods yielded statistically indistinguishable results. The experimentally determined log Klipw s were compared with log Kow values estimated with the fragment method using different literature sources for the fragment constants. Fragments of log Klipw were calculated for the ethoxy group (EO) and the -CH2 - units from the experimentally determined data. An additional -CH2 - unit causes an average increase of log Klipw by 0.45, and an additional EO causes an average decrease of log Klipw by -0.12. With these fragments, the quality of log Klipw estimations can be improved significantly as compared to simple linear regression of log Klipw versus log Kow . The Klipw values calculated according to the new fragment method for pure compounds and for commercial mixtures are shown to be adequate descriptors for quantitative structure-activity relationships of bioaccumulation, toxicity, and sorption to natural organic material.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
