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Adsorption / desorption

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Endpoint:
adsorption / desorption: screening
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
the study does not need to be conducted because the substance and its relevant degradation products decompose rapidly
Endpoint:
adsorption / desorption: screening
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Study period:
2021
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Calculation method determining the Koc for charged molecules according to Franco & Trapp (2008). Information on the reliability and applicability of the calculations can be found in the attached QMRF and QPRF documentation.
Principles of method if other than guideline:
The Koc of the substance was calculated based on the approach presented in Franco and Trapp (2008), where regressions were developed to predict separately the Koc for the neutral and ionic molecule species of organic electrolytes from their log Kow and pKa values.
GLP compliance:
no
Type of method:
other: calculation according to Franco and Trapp (2008)
Key result
Type:
Koc
Value:
211.7 dimensionless
Conclusions:
The adsorption coefficient of the substance was estimated based on the approach developed by Franco and Trapp (2008). A Koc value of 211.7 was calculated for the substance.

Description of key information

The adsorption of the substance was calculated based on the approach developed by Franco and Trapp (2008) for the estimation of soil-water partition coefficients for ionizable organic chemicals. In this approach, regressions were developed to predict separately the Koc for the neutral and ionic molecule species of organic electrolytes based on the substance's log Kow and pKa. The Koc of the substance was calculated to be 211.7 (log Koc 2.33). This Koc value is used as key value for the chemical safety assessment.

Key value for chemical safety assessment

Koc at 20 °C:
211.7

Additional information