Registration Dossier

Administrative data

Endpoint:
adsorption / desorption, other
Remarks:
Calculation
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
02.06.2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report Date:
2016

Materials and methods

Principles of method if other than guideline:
KOCWIN (v2.00) from EpiSuite v4.10 (Copyright 200-2008 US EPA)
GLP compliance:
no
Type of method:
other: (Q)SAR calculation
Remarks:
EpiSuite 4.10 (copyright 2000-2008 US EPA), KOCWIN Program (v2.00)

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Adsorption coefficientopen allclose all
Key result
Type:
Koc
Value:
153.7 L/kg
Remarks on result:
other:
Remarks:
(Q)SAR calculation, KOC estimate from logKow
Key result
Type:
log Koc
Value:
2.187
Remarks on result:
other: (Q)SAR calcuation, KOC estimate from logKow
Type:
log Koc
Value:
1.935
Remarks on result:
other:
Remarks:
(Q)SAR calculation, KOC estimated from MCI
Type:
Koc
Value:
86.03 L/kg
Remarks on result:
other:
Remarks:
(Q)SAR calculation, KOC estimated from MCI

Any other information on results incl. tables

Koc Estimate from MCI:

---------------------

First Order Molecular Connectivity Index ........... : 2.561

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 1.9347

Fragment Correction(s) --> NONE : ---

Corrected Log Koc .................................. : 1.9347

Estimated Koc: 86.03 L/kg <===========

Koc Estimate from Log Kow:

-------------------------

Log Kow (experimental DB) ......................... : 2.52

Non-Corrected Log Koc (0.8679 logKow - 0.0004) ..... : 2.1867

Fragment Correction(s) --> NONE : ---

Corrected Log Koc .................................. : 2.1867

Estimated Koc: 153.7 L/kg <===========

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
Depending on the model, the log KOC is 1.9347 based on KOC estimation from MCI or 2.1867 based on KOC estimation from logKow.