scholarly journals QSPR modeling of octanol-water partition coefficient and organic carbon normalized sorption coefficient of diverse organic chemicals using Extended Topochemical Atom (ETA) indices

2021 ◽  
Vol 208 ◽  
pp. 111411
Author(s):  
Sapna Kumari Pandey ◽  
Kunal Roy
1990 ◽  
Vol 41 (3) ◽  
pp. 389 ◽  
Author(s):  
AC Just ◽  
DW Hawker ◽  
DW Connell

The partitioning behaviour of lindane between sediment, water and the prawn Metapenaeus macleayi was investigated. The sediment-to-water partition coefficient was determined with sealed glass vials in laboratory experiments and found to be 9.52, or 2164 on an organic carbon basis. This is in agreement with relevant literature data and confirms that the organic matter of the sediment is the primary sorption site in this process. The bioconcentration factor was evaluated from laboratory experiments with prawns in sealed glass jars in which the lindane seawater solution was changed frequently. Under these conditions, effective equilibrium was attained after 24 h. Measured uptake (k1) and clearance (k2) rate constants were smaller than predicted on the basis of existing general relationships between k1, k2 and the octanol/water partition coefficient (Kow) for crustaceans. The bioconcentration factor (KB) was found to be 5.50, or 1273 on a lipid basis, which is also smaller than values estimated from general relationships. The sediment-to-prawn bioaccumulation factor was 0.58, which means that biotic concentrations will be significantly less than those observed in sediments.


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