Registration Dossier

Administrative data

Endpoint:
adsorption / desorption, other
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
EPISUITE TM (US EPA)
Justification for type of information:
Koc was estimated using the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. KOCWIN™: Formerly called PCKOCWIN™. This program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. the Koc.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report Date:
2018

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Koc was estimated using the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. KOCWIN™: Formerly called PCKOCWIN™. This program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. the Koc.

Test material

Reference
Name:
Unnamed

Study design

Batch equilibrium or other method

Computational methods:
The EPI (Estimation Programs Interface) Suite™ is a Windows®-based suite of physical/chemical property and environmental fate estimation programs developed by EPA’s and Syracuse Research Corp. (SRC). EPI Suite™ is a screening-level tool.

KOCWIN™: Formerly called PCKOCWIN™, this program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. KOC. KOC is estimated using two different models: The Sabljic molecular connectivity method with improved correction factors; and the traditional method based on log KOW.

Results and discussion

Adsorption coefficient
Key result
Type:
Koc
Value:
66.67 L/kg

Any other information on results incl. tables

Value: KOC= 66.67 l/kg (Log KOC= 1.824). Remarks: Estimation based on MCI method, by the KOCWIN™ v2.00 module of EPI Suite™ v.4.11.

Applicant's summary and conclusion

Conclusions:
Value: KOC = 66.67 l/kg (Log KOC = 1.824). Remarks: Estimation based on MCI method, by the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. The results indicate that the substance is mobile according to FAO classification (KOC 10 to 100, substance does not adsorb.
Executive summary:

Koc was estimated using the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. KOCWIN™: Formerly called PCKOCWIN™. This program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. Koc. Koc is estimated using two different models: the Sabljic molecular connectivity method with improved correction factors; and the method based on log Kow. The results of the MCI method were chosen, since they are independent from the determination of the octanol-water partition coefficient. Value: KOC= 66.67 l/kg (Log KOC= 1.824). Remarks: Estimation based on MCI method, by the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. Koc indicated that the substance is mobile, i.e. it does not adsorb to soils and sediments, according to FAO mobility classification.