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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Estimated data generated using the EPI Suite model developed by the USEPA.
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
Prediction done using KOCWIN Program (v2.00)
GLP compliance:
not specified
Type of method:
other: MCI Method
Media:
soil
Radiolabelling:
not specified
Test temperature:
25 deg.C
Analytical monitoring:
not specified
Type:
Koc
Value:
584.7 L/kg
Temp.:
25 °C
Remarks on result:
other: Log Koc= 2.7670 (estimated by MCI method)
Validity criteria fulfilled:
not specified
Conclusions:
The Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 584.7L/kg (log Koc= 2.7670) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.
Executive summary:

The Soil Adsorption Coefficient i.e. Koc value of test chemical  was estimated using EPI suite KOCWIN Program (v2.00) as 584.7 L/kg (log Koc= 2.7670) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical  has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.

Description of key information

The Soil Adsorption Coefficient i.e. Koc value of test chemical  was estimated using EPI suite KOCWIN Program (v2.00) as 584.7 L/kg (log Koc= 2.7670) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical  has moderate sorption to soil and therefore test chemical has slow migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:
584.7

Additional information

Predicted data study for test chemical and experimental studies for its read across chemical have been reviewed for adsorption endpoint and their results are summarized below.

In first study the Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 584.7 L/kg (log Koc= 2.7670) by means of MCI method at 25 deg. C.

In next study the Koc value of test chemical was estimated by using EPIWIN/PCKOCWIN v1.66 and estimation was based on molecular structure and measured boiling point of 230°C. The koc value was estimated to be Koc =856.1 (Log Koc = 2.933).

Another study was reviwed from authoritative database (HSDB, 2017) in this study the adsorption coefficient of test chemical was determined by using a structure estimation method based on molecular connectivity indices, the Koc for test chemical determined to be 1700 (log Koc= 3.230).

Last study was experimental study (Study report) in this 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 item solution was prepared by accurately weighing 50mg of test item and diluted with mobile phase up to 100ml. Thus, the test solution concentration was 500mg/l. The pH of test substance was 7.52. 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 (Annex - 2).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 estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were 4-chloroaniline, 4-methylaniline, N methylaniline, 2-Nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,N-dimethylbenzamide, N-methylbenz amide, Benzamide, phenanthrene having Koc value ranging from 1.239 to 4.09. The Log Koc value of test chemical was determined to be 3.145 ± 0.031 at 25°C.

By considering results of all above mentioned studies it is concluded that Log Koc value of test chemical is in range of 2.7 to 3.2. On the basis of this range log koc value it is concluded that test chemical has moderate sorption to soil and sediment and has slow migration potential to ground water.

[LogKoc: 2.767]