Glycerides, tall-oil mono-, di-, and tri-

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Accepted calculation method, peer-reviewed.

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report Date:

2013

Materials and methods

Principles of method if other than guideline:

Calculation based on KOWWIN programme v1.68, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.00. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
For further details please see under "Any other information on materials and methods incl. tables".

GLP compliance:

no

Remarks:

Calculation

Type of method:

other: estimated by calculation

Partition coefficient type:

octanol-water

Test material

Reference

Name:

Unnamed

Type:

Constituent

Details on test material:

- Name of test material (as cited in study report): Glycerol monooleate component of Glycerides, tall-oil mono-, di- and tri-
- Molecular formula (if other than submission substance): C21H40O4
- Molecular weight (if other than submission substance): 356.55
- Smiles notation (if other than submission substance): O=C(OCC(O)C(O))CCCCCCCC=CCCCCCCCC
- Analytical purity: not applicable

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

6.4

Remarks on result:

other: for C18:1 glycerol monoester

Any other information on results incl. tables

QSAR result; pH and temperature are not reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".