Registration Dossier

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Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
Scientific QSAR validated

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018

Materials and methods

Principles of method if other than guideline:
QSAR
1. SOFTWARE
WSKOWWIN EPIWIN program of the US EPA (Environmental protection Agency )
2. MODEL (incl. version number)
Water solubility from Kow (determined with KOWWIN) and Fragment method (v4.11)
GLP compliance:
no
Remarks:
not relevant
Other quality assurance:
other: Educational and practical background of Author
Remarks:
educational and professional experience of experimentator
Type of method:
other: QSAR
Remarks:
Scientific QSAR

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
additive
Test material form:
liquid
Details on test material:
- State of aggregation: not applicable
- Activation: not required
water as a additive
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: The test material is representative of the registered substance
- Expiration date of the lot/batch: not relevant
- Purity test date: not relevant

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: at room temperature in the dark
- Stability under test conditions: stable
- Solubility and stability of the test substance in the solvent/vehicle: soluble

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: none
- Preliminary purification step (if any): none

Results and discussion

Water solubility
Key result
Water solubility:
>= 824 - <= 596 000 mg/L
Conc. based on:
test mat.
Remarks:
for the species assessed
Temp.:
25 °C
pH:
>= 5 - <= 8.5
Details on results:
Confidential

Applicant's summary and conclusion

Conclusions:
Water solubility calculated by EPIWIN QSAR fragment method was  >= 824 and <= 596000 mg/L for the molecules included in the assessment.

Executive summary:

Water solubility calculated by EPIWIN QSAR fragment method was  >= 824 and <= 596000 mg/L for the molecules included in the assessment.