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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
For detailed description on the model and its applicability, see attached QMRF and QPRF document.
Reference:
Composition 0
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Test material information:
Composition 1
Details on test conditions:
For detailed description on the model and its applicability, see attached QMRF and QPRF document.
Type:
log Koc
Value:
1.94 dimensionless
Temp.:
25 °C
Remarks on result:
other: Estimate from MCI
Type:
Koc
Value:
88.15 L/kg
Temp.:
25 °C
Remarks on result:
other: Estimate from MCI
Type:
log Koc
Value:
2.28 dimensionless
Temp.:
25 °C
Remarks on result:
other: Estimate from Log Kow
Type:
Koc
Value:
189.7 L/kg
Temp.:
25 °C
Remarks on result:
other: Estimate from Log Kow

Description of key information

The log Koc was estimated by (Q)SAR calculations to be 2.28 (based on log Pow) and 1.94 (MCI). A mean log Koc of 2.11 was calculated indicating a low potential for adsorption to soil and sediment particles.

Key value for chemical safety assessment

Koc at 20 °C:
128.83

Additional information

No experimental studies investigating the adsorption/desorption potential of the target substance are available. Therefore, the log Koc was calculated using KOCWIN v2.00 based on the Molecular Connectivity Index (MCI) and based on the log Pow. Calculations resulted in log Koc values of 1.94 (MCI) and 2.28 (estimation based on log Pow). A mean log Koc of 2.11 was calculated indicating that the substance has a low potential to adsorb to organic soil and sediment particles.

[LogKoc: 2.11]

[LogKoc: 2.11]