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Partition coefficient
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Administrative data
- Endpoint:
- partition coefficient
- 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
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
Materials and methods
- Principles of method if other than guideline:
- The Kow which were calculated were derived from EPIWIN program (KOWWIN v1.67 or v1.68) of the US EPA (Environmental protection Agency )
1. SOFTWARE
EPIWIN program (KOWWIN v1.67 or v1.68) of the US EPA (Environmental protection Agency )
2. MODEL (incl. version number)
v1.68 - GLP compliance:
- no
- Remarks:
- not required because QSAR
- Other quality assurance:
- other: proven scientific and practical experience
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Test material
- 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
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: QSAR. 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
not relevant
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
not relevant
Study design
- Analytical method:
- other:
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= -4.23 - <= -0.42
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: QSAR
- Remarks:
- QSAR
- Details on results:
- The calculated value for prop-2 -yn-1-ol (-0.42) was in excellent agreement with the measured value of Hansch et al. (1995) of -0.38.
Applicant's summary and conclusion
- Conclusions:
- log Kow calculated by EPIWIN program was -4.23 to -0.42 for represenative constituents
- Executive summary:
log Kow calculated by EPIWIN program (KOWWIN v1.67 or v1.68) of the US EPA (Environmental protection Agency) QSAR was -4.23 to -0.42 for representative constituents. The calculated value for prop-2 -yn-1-ol was in excellent agreement with the measured value of Hansch et al. (1995) of -0.38.
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