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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption, other
Remarks:
other: QSAR
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR calculation, acceptable with restrictions
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
KOCWIN Program (v2.00) uses MCI and a series of group contribution factors to predict Koc.
GLP compliance:
no
Type of method:
other: QSAR
Media:
other: QSAR
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material:
Not applicable
Radiolabelling:
no
Test temperature:
No data reported
Details on study design: HPLC method:
No data reported
Analytical monitoring:
not required
Details on sampling:
No data reported
Details on matrix:
No data reported
Details on test conditions:
No data reported
Computational methods:
KOCWIN Program (v2.00) uses MCI (molecular connectivity index) and a series of group contribution factors to predict Koc.
Type:
log Koc
Value:
3.18
Remarks on result:
other: Koc Estimate from MCI
Type:
log Koc
Value:
2.74
Remarks on result:
other: Koc Estimate from Log Kow
Details on results (HPLC method):
No data reported
Adsorption and desorption constants:
No data reported
Recovery of test material:
No data reported
Concentration of test substance at end of adsorption equilibration period:
No data reported
Concentration of test substance at end of desorption equilibration period:
No data reported
Details on results (Batch equilibrium method):
No data reported
Statistics:
No data reported
Validity criteria fulfilled:
not applicable
Conclusions:
The log Koc of DCPD has been estimated using QSAR models to be 2.74 (kow method) and 3.18 (MCI method).
Executive summary:

The Koc of DCPD has been estimated using QSAR models (USEPA 2008). KOCWIN Program (v2.00) uses MCI (molecular connectivity index) and a series of group contribution factors to predict Koc.

Description of key information

The Koc of DCPD has been estimated using QSAR models (USEPA 2008). KOCWIN Program (v2.00) uses MCI (molecular connectivity index) and a series of group contribution factors to predict Koc. The corresponding log Koc values are 3.18 (MCI method) and 2.74 (kow method).

Key value for chemical safety assessment

Koc at 20 °C:
1 514

Additional information