Registration Dossier

Administrative data

Endpoint:
other distribution data
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: software application
Title:
US EPA . Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.10 . United States Environmental Protection Agency, Washington, DC, USA ; KOAWIN™ Version 1.10 [2010]
Author:
U.S. Environmental Protection Agency 1200 Pennsylvania Ave., N.W. (Mail Code 7406M) Washington, DC 20460
Year:
2013
Bibliographic source:
http://www.epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARs Chapter R.6 , May 2008
Principles of method if other than guideline:
The estimation for Octanol-Air Partition Coefficient (KOA) of the test material was performed with US-EPA software EPIWIN/KOAWIN v1.10.This program (KOAWIN) estimates the Octanol-Air Partition Coefficient (KOA) of an organic compound using the compound's octanol-water partition coefficient (Kow) and Henry's Law constant (HLC).
GLP compliance:
no
Remarks:
(not applicable)
Type of study:
other: QSAR calculation
Media:
other: octanol-air

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
not specified
Details on test material:
- Name of test material (as cited in study report) : 2-Pyridineethanol
- SMILES : n(c(ccc1)CCO)c1

Results and discussion

Any other information on results incl. tables

Koa (octanol/air) estimate: 8.53e+007

Applicant's summary and conclusion

Conclusions:
The study report describes a scientifically accepted calculation method for the soil absorption characteristics using the US-EPA software KOAWIN v1.10. No GLP criteria are applicable for the usage of this tool and the QSAR estimation is easily repeatable.
Executive summary:

The prediction for Octanol-Air Partition Coefficient (Koa) of the test substance was determined by the computer program KOAWIN v1.10 (EPIWIN software) by US-EPA .This program (KOAWIN) estimates the Octanol-Air Partition Coefficient (Koa) of an organic compound using the compound's octanol-water partition coefficient (Kow) and Henry's Law constant (HLC).The octanol-air partition coefficient (Koa) is the ratio of a chemical's concentration in octanol to the concentration in air at equilibrium.

The prediction resulting in a Koa value of 8.53e+007 .