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Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Estimated data generated using the EPI Suite model developed by the USEPA.
Qualifier:
according to guideline
Guideline:
other: Modeling database
Principles of method if other than guideline:
Prediction done using KOCWIN Program (v2.00)
GLP compliance:
no
Type of method:
other: MCI Method
Media:
soil
Radiolabelling:
not specified
Test temperature:
25 deg.C
Analytical monitoring:
not specified
Key result
Type:
Koc
Value:
1 491 000 000 L/kg
Temp.:
25 °C
Remarks on result:
other: Log Koc= 9.173 (estimated by MCI method)
Transformation products:
not specified

KOCWIN Program (v2.00) Results:

==============================

SMILES : Oc1c(cccc1c2nc(nc(n2)c3ccc(cc3C)C)c4c(cc(cc4)C)C)OCCCCCCCC

CHEM : Phenol, 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octylox

y)-

MOL FOR: C33 H39 N3 O2

MOL WT : 509.70

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

Koc Estimate from MCI:

---------------------

First Order Molecular Connectivity Index ........... : 18.367

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 10.1747

Fragment Correction(s):

1 Ether, aromatic (-C-O-C-) ........... : -0.6791

1 Triazine ring ....................... : -0.2257

1 Aromatic Hydroxy (aromatic-OH) ....... : -0.0966

Corrected Log Koc .................................. : 9.1734

Estimated Koc: 1.491e+009 L/kg <===========

Validity criteria fulfilled:
not specified
Conclusions:
The Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 1491000000 L/kg (log Koc= 9.173) by means of MCI method at 25°C. This log Koc value indicates that test chemical has very strong sorption to soil and therefore test chemical has negligible migration potential to ground water.
Executive summary:

The Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 1491000000 L/kg (log Koc= 9.173) by means of MCI method at 25°C.  This log Koc value indicates that test chemical has very strong sorption to soil and therefore test chemical has negligible migration potential to ground water.

Description of key information

The Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 1491000000 L/kg (log Koc= 9.173) by means of MCI method at 25°C.  This log Koc value indicates that test chemical has very strong sorption to soil and therefore test chemical has negligible migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:
1 491 000 000

Additional information

The Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 1491000000 L/kg (log Koc= 9.173) by means of MCI method at 25°C.  This log Koc value indicates that test chemical has very strong sorption to soil and therefore test chemical has negligible migration potential to ground water.