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Adsorption / desorption

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Endpoint:
adsorption / desorption
Remarks:
adsorption
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.
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Radiolabelling:
no
Type:
log Koc
Value:
2.412
Temp.:
25 °C
Remarks on result:
other: estimation based on log Pow
Type:
Koc
Value:
257.99 L/kg
Temp.:
25 °C
Remarks on result:
other: estimation based on log Pow

For detailed description of the model and its applicability, please refer to the attached QPRF and QMRF reporting formats.

Validity criteria fulfilled:
not applicable
Conclusions:
The log Koc was estimated by (Q)SAR calculations to be 2.46 (estimation based on log Pow) indicating a low potential for adsorption to soil and sediment particles.
Endpoint:
adsorption / desorption
Remarks:
adsorption
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.
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Radiolabelling:
no
Type:
log Koc
Value:
2.558
Temp.:
25 °C
Remarks on result:
other: MCI method
Type:
Koc
Value:
361.3 L/kg
Temp.:
25 °C
Remarks on result:
other: MCI method

For detailed description of the model and its applicability, please refer to the attached QPRF and QMRF reporting formats.

Validity criteria fulfilled:
not applicable
Conclusions:
The log Koc was estimated by (Q)SAR calculation to be 2.56 (MCI) indicating a low potential for adsorption to soil and sediment particles.

Description of key information

The log Koc was estimated by (Q)SAR calculations to be 2.41 L/kg (based on log Pow) and 2.56 L/kg (MCI) and a mean log Koc of 2.49 indicating a low to moderate potential for adsorption to soil and sediment particles.

Key value for chemical safety assessment

Koc at 20 °C:
309.03

Additional information

No experimental studies investigating the adsorption/desorption potential of the test 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 2.56 L/kg (MCI) and 2.41 L/kg (estimation based on log Pow). The mean log Koc was calculated to be 2.49, indicating that the substance has a low to moderate potential to adsorb to organic soil and sediment particles.

[LogKoc: 2.49]