Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
1. SOFTWARE KOCWIN

2. MODEL (incl. version number) v2.00

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL : none

Data source

Reference
Reference Type:
publication
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
- Software tool(s) used including version: KOCWIN V2.00
- Model(s) used: US EPA 2011

Test material

Constituent 1
Chemical structure
Reference substance name:
Tri(tridecyl) benzene-1,2,4-tricarboxylate
EC Number:
302-446-4
EC Name:
Tri(tridecyl) benzene-1,2,4-tricarboxylate
Cas Number:
94109-09-8
Molecular formula:
C48H84O6
IUPAC Name:
tri(tridecyl) benzene-1,2,4-tricarboxylate
Test material form:
liquid
Details on test material:
- Moisture content: <= 0.1%

Results and discussion

Adsorption coefficient
Key result
Type:
log Koc
Value:
ca. 11.4 dimensionless
Temp.:
25 °C

Applicant's summary and conclusion

Conclusions:
logKoc = 11.40 at 25°C (QSAR KOCWIN V2.00; US EPA 2011)