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Environmental fate & pathways

Adsorption / desorption

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Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Validated QSAR model. Calculation for (Z)-N-octadecyldocos-13-enamide, however the substance is outside of the domain of the training set (log Kow of the training set: -2.11-9.10; log Kow of the component: 17.26). Nevertheless, the value of the prediction will be used for risk assessment purposes, since a) there is currently no universally accepted definition of model domain, and b) since further measurements/testing would not result in additional knowledge for this substance.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Type:
log Koc
Value:
10.207
Temp.:
25 °C
Remarks on result:
other: based on MCI
Type:
Koc
Value:
10 000 000 000
Temp.:
25 °C
Remarks on result:
other: based on MCI

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Validated QSAR model. Calculation for (Z)-N-octadecyldocos-13-enamide, however the substance is outside of the domain of the training set (log Kow of the training set: -2.11-8.12; log Kow of the component: 17.26). Nevertheless, the value of the prediction will be used for risk assessment purposes, since a) there is currently no universally accepted definition of model domain, and b) since further measurements/testing would not result in additional knowledge for this substance.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on KOCWIN v2.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Type:
log Koc
Value:
10.447
Temp.:
25 °C
Remarks on result:
other: based on MCI
Type:
Koc
Value:
27 960 000 000
Temp.:
25 °C
Remarks on result:
other: based on MCI

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Description of key information

Log Koc = 10.4 (KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

No studies investigating the adsorption characteristics of the substance are available. Using the program EpiSuite (KOCWIN v2.00), log Koc values of 10.2 (MCI method) and 10.4 (based on log Kow) were calculated (Knoell Consult GmbH, 2012).