Registration Dossier
Registration Dossier
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EC number: 235-227-6 | CAS number: 12136-45-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- 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:
- 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.
Reference
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 <===========
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]
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