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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

adsorption / desorption: screening
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Molecular Connectivity Index method
Justification for type of information:
See attached justification documents
no guideline followed
Principles of method if other than guideline:
QSAR KOCWIN prediction (Epiweb4.1)
Key result
824.7 L/kg
25 °C
Validity criteria fulfilled:
not applicable
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:

Additional information

[LogKoc: 2.92]