Registration Dossier

Environmental fate & pathways

Adsorption / desorption

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption: screening
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
key 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:
QSAR prediction
Principles of method if other than guideline:
KOCWIN™ 2008. Version 2.00. U.S. Environmental Protection Agency. http://www.epa.gov/oppt/exposure/pubs/episuite.htm
GLP compliance:
not specified
Key result
Type:
log Koc
Value:
4.17
Type:
Koc
Value:
14 750

SMILES : CCN(CC)C(=S)S[Zn]SC(=S)N(CC)CC

CHEM  : Ethyl ziram

MOL FOR: C10 H20 N2 S4 Zn1

MOL WT : 361.91

--------------------------- KOCWIN v2.00 Results ---------------------------

 

 Koc Estimate from MCI:

 ---------------------

        First Order Molecular Connectivity Index ........... : 8.099

        Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 4.8220

        Fragment Correction(s):

                 4  Nitrogen to Carbon (aliphatic) (-N-C).. : -0.8509

                 *  Dithiocarbonyl (-S-C(=S)-N)............ : 0.1978

        Corrected Log Koc .................................. : 4.1688

 

                        Estimated Koc: 1.475e+004 L/kg  <===========

Description of key information

The calculated Koc value of 14,800 L/kg is used in the assessment.

Key value for chemical safety assessment

Koc at 20 °C:
14 800

Additional information

No adsorption/desorption study is available for zinc bis(diethyldithiocarbamate). Therefore, the Koc was calculated with KOCWIN™ (U. S. EPA, 2008) using the Molecular Connectivity Index (for details see QMRF and QPRF as attached to the respective IUCLID entry and CSR Appendix A). The calculated Koc value is 14,800 L/kg.

[LogKoc: 4.17]