Registration Dossier

Environmental fate & pathways

Adsorption / desorption

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption: screening
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Molecular Connectivity Index method
Justification for type of information:
See attached justification documents
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR KOCWIN prediction (Epiweb4.1)
Key result
Type:
Koc
Value:
824.7 L/kg
Temp.:
25 °C
Validity criteria fulfilled:
not applicable
Conclusions:
Based on Molecular Connectivity Index method, KOCWIN estimated Koc is 824.7 L/kg (log Koc = 2.92).

Executive summary:

--------------------------- KOCWIN v2.00 Results ---------------------------

Koc Estimate from MCI:

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

First Order Molecular Connectivity Index ........... : 6.932

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 4.2133

Fragment Correction(s):

1 Ester (-C-CO-O-C-) or (HCO-O-C) ...... : -1.2970

Corrected Log Koc .................................. : 2.9163

Estimated Koc: 824.7 L/kg <===========

       

Description of key information

Based on Molecular Connectivity Index method, KOCWIN estimated Koc is 824.7 L/kg.

Key value for chemical safety assessment

Koc at 20 °C:
824.7

Additional information

[LogKoc: 2.92]