Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
adsorption / desorption
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
publication
Title:
QSAR calculation used
Author:
American Chemical Society (ACS)
Year:
2013
Bibliographic source:
Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013

Materials and methods

Test guideline
Deviations:
not applicable
Remarks:
QSAR calculation used
Principles of method if other than guideline:
Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Not applicable
Molecular formula:
C14H18O2 and C18H15OP
IUPAC Name:
Not applicable
Radiolabelling:
no

Study design

Batch equilibrium or other method

Analytical monitoring:
no
Computational methods:
Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013

Results and discussion

Adsorption coefficient
Type:
Koc
Value:
1 859.62
Temp.:
25 °C
Remarks on result:
other: QSAR calculation used

Results: Batch equilibrium or other method

Transformation products:
not measured

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
Calculated result by using QSAR software ACD/Labs V11.0 of Advanceed Chemistry Development, published by ACD/Labs 2013 published in REGISTRY Chemical Abstract data base of Services of American Chemical Society (ACS) 2013:
Koc: 1859.62 @ 25 °C, pH 1-10