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EC number: 263-058-8
CAS number: 61789-40-0
Adsorption / desorption
KOCWIN model of Estimation Programs
Interface was used to predict the soil adsorption coefficient i.e Koc
value of test chemical .The soil adsorption coefficient i.e Koc
value of test chemical was estimated to be 648 L/kg (log Koc= 2.81) by
means of MCI method at 25 °C. This Koc value indicates that the test
chemical has a moderate sorption to soil and sediment and therefore have
slow migration potential to ground water.
studies predicted have been conducted for test chemical and experimental
study was reviewed for its structurally similar read across chemical and
their results are summarized below.
first study the KOCWIN model of Estimation Programs Interface was used
to predict the soil adsorption coefficient i.e Koc value of test
chemical. The soil adsorption coefficient i.e Koc value of test chemical
was estimated to be 648 L/kg (log Koc= 2.81) by means of MCI method at
another study the Soil Adsorption Coefficient i.e Koc value of test
chemical was estimated using ChemSpider Database. The adsorption
coefficient (Koc) value of test chemical was estimated to be 143.46 (Log
Koc = 2.156) at pH 5.5 and 143.48 (Log Koc = 2.156) at pH 7.4.
last experimental study the adsorption coefficient Koc in soil and in
sewage sludge of test chemical was determined by the Reverse Phase High
Performance Liquid Chromatographic method according to OECD Guideline
No. 121 for testing of Chemicals. The solutions of the test substance
and reference substances were prepared in appropriate solvents. A test
chemical solution was prepared by accurately weighing 4 mg of test
chemical and diluted with Methanol up to 10 ml. Thus, the test solution
concentration was 400 mg/l. The pH of test substance was 7.15. Each of
the reference substance and test substance were analysed by HPLC at 210
nm. After equilibration of the HPLC system, Urea was injected first, the
reference substances were injected in duplicate, followed by the test
chemical solution in duplicate. Reference substances were injected again
after test sample, no change in retention time of reference substances
was observed. Retention time tR were measured, averaged and the decimal
logarithms of the capacity factors k were calculated. The graph was
plotted between log Koc versus log k. The linear regression parameter of
the relationship log Koc vs log k were also calculated from the data
obtained with calibration samples and therewith, log Koc of the test
substance was determined from its measured capacity factor. The
reference substances were chosen according to functional similarity with
the test substance and calibration graph prepared. The reference
substances were 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide,
N,N-dimethylbenzamide, N-methylbenzamide, Benzamide having Koc value
ranging from 1.239 to 2.47. The Log Koc value of test chemical was
determined to be 1.8124 ± 0.002 dimensionless at 25°C.
considering results of all the studies mentioned above the Log koc value
of test chemical was determined to be in range of 1.8 to 2.81
dimensionless. This range log Koc value indicates that test substance
has a low sorption to soil and sediment and therefore has moderate
migration potential to ground water.
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