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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Remarks:
(Q)SAR calculated endpoint
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
QSAR prediction: (Q)SAR method with established scientific validity
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR model
GLP compliance:
no
Remarks:
not relevant
Type of method:
other: QSAR model
Media:
other: QSAR model
Radiolabelling:
no
Test temperature:
QSAR model
Analytical monitoring:
no
Type:
Koc
Value:
13.22
Remarks on result:
other: Estimate from MCI:

The log of the adsorption coefficient (KOC) of Dipotassium oxide/Potassium oxide was estimated to be log KOC = 1.1211which is equal to a KOC value of 13.22 using the KOCWIN v2.00 QSAR method.

SMILES : KOK

CHEM  : Potash (potassium oxide)

MOL FOR: O1 K2

MOL WT : 94.20

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

Koc Estimate from MCI:

 ---------------------

        First Order Molecular Connectivity Index ........... : 1.000

        Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 1.1211

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

        Corrected Log Koc .................................. : 1.1211

 

                        Estimated Koc: 13.22 L/kg  <===========

 

 

Validity criteria fulfilled:
yes
Conclusions:
KOCWIN predicts a Koc value of 13.22 L/kg (log Koc 1.1211)
The adsorption coefficient (Koc) was estimated using the KOCWIN v2.00 QSAR model available from the US EPA. The estimated adsorption coefficient was 13.22 L/kg (log Koc 1.1211)
Executive summary:

The log of the adsorption coefficient (KOC) of Dipotassium oxide/Potassium oxide was estimated to be log KOC = 1.1211which is equal to a KOC value of 13.22 using the KOCWIN v2.00 QSAR method.

Description of key information

KOCWIN predicts a Koc value of 13.22  L/kg (log Koc 1.1211) 
The adsorption coefficient (Koc) was estimated using the KOCWIN v2.00 QSAR model available from the US EPA. The estimated adsorption coefficient was 13.22 L/kg (log Koc 1.1211)

Key value for chemical safety assessment

Koc at 20 °C:
13.22

Additional information

The log of the adsorption coefficient (KOC) of Dipotassium oxide/Potassium oxide was estimated to be log KOC = 1.1211which is equal to a KOC value of 13.22 using the KOCWIN v2.00 QSAR method.

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

Koc Estimate from MCI:

 ---------------------

        First Order Molecular Connectivity Index ........... : 1.000

        Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 1.1211

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

        Corrected Log Koc .................................. : 1.1211

 

                        Estimated Koc: 13.22 L/kg  <===========

 

 

[LogKoc: 1.1211]