1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulphonyl)oxy]phenyl]azo]nicotinonitrile

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption, other

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2017

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Justification for type of information:

1. SOFTWARE: EPI Suite
2. MODEL (incl. version number): 4.10
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: CCN1C(=C(N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)Cl)NC4=CC(=CC=C4)[S](=O)(=O)O[Na])[S](=O)(=O)O[Na])C(=C(C[S](=O)(=O)O[Na])C1=O)C)O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: Widely used and accepted model.

Qualifier:

according to guideline

Guideline:

other: Calculated using EPA EpiWin tool

Deviations:

not applicable

Principles of method if other than guideline:

Calculated using EPA EpiWin tool

GLP compliance:

no

Type of method:

other: Calculated using EPA EpiWin tool - Koc Estimate from Log Kow

Key result

Sample No.:

#1

Type:

log Koc

Value:

4.43 dimensionless

Remarks on result:

other: Value derived using QSAR

Validity criteria fulfilled:

not applicable

Conclusions:

Estimated Koc: 27060 (corrected log Koc 4.4323)

Executive summary:

Calculated using EPA EpiWin tool for calculations in CSR. Estimated Koc: 27060 (corrected log Koc 4.4323)

Description of key information

The adsorption coefficient Koc was estimated using EPI Suite. Estimated Koc: 27060 (corrected log Koc 4.4323). This means that Disperse Yellow 114 is immobile in soils.

Key value for chemical safety assessment

Koc at 20 °C:

27 060