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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption, other
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Principles of method if other than guideline:
Soil Adsorption Coefficient Program (KOCWIN) v2.00.
Type of method:
other: Details of the methodology are described in the following article: Meylan, W., P.H. Howard and R.S. Boethling, "Molecular Topology/Fragment Contribution Method for Predicting Soil Sorption Coefficients", Envir
Media:
soil
Radiolabelling:
no
Type:
log Koc
Remarks:
KOC estimate from logKow
Value:
12.97
Remarks on result:
other: NLP-fraction 1
Type:
log Koc
Remarks:
KOC estimate from logKow
Value:
18.17
Remarks on result:
other: NLP-fraction 2
Type:
log Koc
Remarks:
KOC estimate from logKow
Value:
17.28
Remarks on result:
other: NLP-fraction 3
Type:
log Koc
Remarks:
KOC estimate from logKow
Value:
27.45
Remarks on result:
other: NLP-fraction 4
Conclusions:
Based on the results, the calculated log Koc of the test substance is expected to be higher than 10.
Executive summary:

The test item is insoluble or only poorly soluble in water. Even using a co-solvent, the test item immediately precipitates after contact with water. Therefore, an experimentally determination of the adsorption coefficient according to OECD TG 121 is not possible. Alternatively the adsorption coefficients were calculated using the software KOCWIN v2.00 owned by the U.S. Environmental Protection Agency on the basis of the structural formula of the test item components and possible hydrolysis products. The logKoc was calculated for 4 different NLP-fractions, resulting in log Koc values higer than 10.

Description of key information

Based on the results, the calculated log Koc of the substance is to be higher than 10.

Key value for chemical safety assessment

Koc at 20 °C:
10 000 000 000

Additional information

"Should read: logKoc > 10"

The substance is insoluble or only poorly soluble in water. Even using a co-solvent, the test item immediately precipitates after contact with water. Therefore, an experimentally determination of the adsorption coefficient according to OECD TG 121 is not possible. Alternatively the adsorption coefficients were calculated using the software KOCWIN v2.00 owned by the U.S. Environmental Protection Agency on the basis of the structural formula of the test item components and possible hydrolysis products. Based on the results, the log Koc of the substance is expected to be higher than 10, indicating a high adsorption potential.

[LogKoc: 10.0]