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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 see above
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
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

Constituent 1
Test material form:
liquid: viscous
Details on test material:
- State of aggregation: contains polymer which is not soluble after dessication
- Particle size distribution: not appropriate (liquid)
- Mass median aerodynamic diameter (MMAD): not appropriate
- Geometric standard deviation (GSD): not appropriate
- Shape of particles: not appropriate
- Surface area of particles: not appropriate
- Crystal structure: not appropriate
- Coating: not appropriate
- Surface properties: surface tension see appropriate section of IUCLID
- Density: see appropriate section of IUCLID
- Moisture content: see above
- Residual solvent: see above
- Activation: not appropriate
- Stabilisation: not required as long as treated properly and instructions of manufacturer are followed
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:
>= 34 000 - <= 1 000 000 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
pH:
>= 5 - <= 10.5
Details on results:
Confidential

Applicant's summary and conclusion

Conclusions:
Water solubility calculated by EPIWIN water solubility QSARs was >= 34000 and <= 1000000 mg/L for representative constituents

Executive summary:

Water solubility calculated by EPIWIN water solubility QSARs was  >= 34000 and <= 1000000 mg/L for representative constituents, consistent with first hand observations