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All of the available information on TNPP, indicated that it will have a very high octanol-water partition coefficient, with log Kow estimates ranging from 6 to >20. This range takes into account both the highest result obtained using QSAR models and the fact that this substance was expected to have a high log Kow based on its structure.
Reimer (2001d) concluded that it was not appropriate to conduct the partition coefficient measurement because the solubility of TNPP in water was too low and the reaction of TNPP with octanol does not allow the measurement of adequate TNPP concentrations in octanol. Jakupca (2007) determined that a more appropriate approach at estimating the Kow was an HPLC method based on OECD guidelines 117. The analysis of TNPP was conducted with gradient HPLC. Butyl benzene, diethylhexyl phthalate (DEHP), diisononylphthalate (DINP) and diisodecylphthalate (DIDP) were used as standards with known Kow’s to develop a calibration curve. Based on this approach, TNPP was estimated with a log Kow of 14 or greater. A standard could not be found that had a Kow of 14 to test the calibration.
Kow calculations for TNPP along with the validity domain of the calculation method used
Valid Kow Range*
Very high LogP unrealistic in nature (this remark was associated to the result of the model)
In general, CLOGP gives also better estimates with log Kow < 0.
0-5 (clear estimates in this range most of the time)
Better than KOWWIN and CLOGP for Kow >5.
* all estimates for Kow around 10 or above should be considered rather as qualitative than quantitative information.
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