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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Link to relevant study record(s)

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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 physicochemical properties of the substance indicate that it can be expected to have a low potential for adsorption
Endpoint:
adsorption / desorption: screening
Type of information:
calculation (if not (Q)SAR)
Remarks:
calculation of log Koc for ionized molecule
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
no guideline followed
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:
Koc
Value:
57.4 dimensionless
pH:
5
Type:
log Koc
Value:
1.76 dimensionless
pH:
5
Type:
Koc
Value:
57.4 dimensionless
pH:
7
Type:
log Koc
Value:
1.76 dimensionless
pH:
7
Conclusions:
The adsorption coefficient of the substance was estimated based on the approach developed by Franco and Trapp (2008). A log Koc value of 1.76 (Koc = 57.4) was calculated for the substance at pH 5 and 7.

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 ionisable 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. A Koc value of 57.4 (logKoc = 1.76) was calculated based on a measured pKa value of 10.2.

Key value for chemical safety assessment

Koc at 20 °C:
57.4

Additional information