Registration Dossier

Administrative data

Endpoint:
adsorption / desorption
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data collected from modelling - US EPA Tool - KOCWIN v.1.66

Data source

Reference
Reference Type:
other: Modelling - EpiSuite v4.1 - US EPA Tool - KOCWin v2.00
Title:
Unnamed
Report Date:
2012

Materials and methods

Principles of method if other than guideline:
EPI Suite™ is a screening-level predictive tool based on SMILE notation.  The estimation methods in EPI Suite™ have been developed by government, academic, and private sector researchers over many years and represent some of the best techniques currently available. Moreover, the intended application domain of EPI Suite is organic chemicals which is in line with the test item.

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Value:
2.64
Remarks on result:
other: Koc estimate from Molecular Connectivity index
Type:
Koc
Value:
436.8
Remarks on result:
other: Koc estimate from Molecular Connectivity index
Type:
log Koc
Value:
3.445
Remarks on result:
other: Koc estimmate from log Kow
Type:
Koc
Value:
2 787
Remarks on result:
other: Koc estimmate from log Kow

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Remarks:
Modelling data
Conclusions:
Two values of Koc are available from two different calculation methods. According to the accuracy and limitations of these two models, Koc estimate from Molecular Connectivity Index seems more accurate than the Log Kow methodology. In that context, value of logKoc: 2.6403 will be used.