Registration Dossier

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Endpoint:
adsorption / desorption, other
Remarks:
QSAR
Type of information:
(Q)SAR
Adequacy of study:
supporting study
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
Justification for type of information:
See "any other information on materials and methods" for justification.

Data source

Reference
Reference Type:
other: QSAR
Title:
KOCWIN v2.00
Author:
EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation.
Year:
2000
Bibliographic source:
http://www.epa.gov/opptintr/exposure/pubs/episuite.htm

Materials and methods

Test material

Constituent 1
Chemical structure
Reference substance name:
L-isoleucine
EC Number:
200-798-2
EC Name:
L-isoleucine
Cas Number:
73-32-5
Molecular formula:
C6H13NO2
IUPAC Name:
L-isoleucine
Test material form:
solid: crystalline

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Value:
-0.817
Remarks on result:
other: Estimated from the Log Kow
Type:
log Koc
Value:
0.895
Remarks on result:
other: Estimated from the MCI method.

Applicant's summary and conclusion

Conclusions:
Depending on the calculation method used, the log Koc was found to be -0.8174 (based on log Kow) or 0.8951 (based on MCI method).
Executive summary:

The log Koc was calculated by EpiSuite's KOCWIN model.

The suitability of the model was assessed and it was concluded that L-isoleucine is considered to be inside the applicability domain of the EpiSuite KOCWIN model.

Depending on the calculation method used, the log Koc was found to be -0.8174 (based on log Kow) or 0.8951 (based on MCI method).