Registration Dossier

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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:
2018

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

Reference
Name:
Unnamed
Type:
Constituent
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: 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.