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EC number: 235-227-6 | CAS number: 12136-45-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- not applicable
- 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: US EPA accepted QSAR method for organic chemicals properties assessment.
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- QSAR method. KOWWIN v1.68
- GLP compliance:
- no
- Remarks:
- not applicable
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- -5.08
- Temp.:
- 25 °C
- pH:
- 7
- Details on results:
- The standard error cited for the QSAR is 0.33.
- Conclusions:
- A reliable QSAR method predicts a value for the partition co-efficient (logKow) of -5.08 for this substance.
- Executive summary:
A reliable QSAR method predicts a value for the partition co-efficient (logKow) of -5.08 for this substance.
Reference
Overview of QSARs estimations on Partition coefficient of Dipotassium oxide/ Potassium oxide
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Log Kow(version 1.68 estimate): -5.08 SMILES : KOK CHEM : Potash (potassium oxide) MOL FOR: O1 MOL WT : 94.20
COEFF VALUE -O- [oxygen, aliphatic attach] -1.2566 | -1.2566 misc-O-{Na,K,Li} [coef*(1+0.5*(NUM-1))] |-2.7000**| -4.0500 Const | | Equation Constant 0.2290 An estimated coefficient used Log Kow = -5.0776 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN (v.1.68) |
Description of key information
A reliable QSAR method predicts a value for the partition co-efficient (logKow) of -5.08 for this substance.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -5.08
- at the temperature of:
- 25 °C
Additional information
A reliable QSAR method predicts a value for the partition co-efficient (logKow) of -5.08 for this substance.
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