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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data is from computational model developed by USEPA
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
KOCWIN Program (v2.00)
GLP compliance:
no
Type of method:
other: estimation
Media:
soil
Radiolabelling:
not specified
Test temperature:
25 deg.C
Analytical monitoring:
not specified
Type:
Koc
Value:
173.6
Temp.:
25 °C
Remarks on result:
other: Log Koc=2.2395 (Estimated via MCI method)

KOCWIN Program (v2.00) Results:

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

SMILES : c1cc2cc(ccc2c(c1)N)S(=O)(=O)O

CHEM :

MOL FOR: C10 H9 N1 O3 S1

Koc may be sensitive to pH!

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

Koc Estimate from MCI:

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

First Order Molecular Connectivity Index ........... : 6.982

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 4.2396

Fragment Correction(s):

1 Sulfonic acid (-S(=O)-OH) ............. : -2.0000

Corrected Log Koc .................................. : 2.2396

Estimated Koc: 173.6 L/kg

Validity criteria fulfilled:
not specified
Conclusions:
The Soil Adsorption Coefficient i.e Koc value of (5or8)-aminonaphthalene-2-sulphonic acid was estimated as Koc -173.6 L/kg(log Koc=2.239) by means of MCI method at 25 deg.C. This Koc value indicates that the substance (5or8)-aminonaphthalene-2-sulphonic acid has low sorption to soil and sediment and therefore have moderate migration potential to groundwater.
Executive summary:

The Soil Adsorption Coefficient i.e Koc value of (5or8)-aminonaphthalene-2-sulphonic acid was estimated as Koc -173.6 L/kg(log Koc=2.239) by means of MCI method at 25 deg.C. This Koc value indicates that the substance (5or8)-aminonaphthalene-2-sulphonic acid has low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Description of key information

The Soil Adsorption Coefficient i.e Koc value of (5or8)-aminonaphthalene-2-sulphonic acid was estimated as Koc -173.6 L/kg(log Koc=2.239)  by means of MCI method at 25 deg.C. This Koc value indicates that the substance (5or8)-aminonaphthalene-2-sulphonic acid has low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Key value for chemical safety assessment

Koc at 20 °C:
173.6

Additional information

Predicted data of adsorption endpoint for the target chemical (5or8)-aminonaphthalene-2-sulphonic acid (Cas no. 51548-48-2) were reviewed to summarize as follows: 

From EPI SUITE (KOCWIN Program (v2.00)) predicted model the Soil Adsorption Coefficient i.e Koc value of (5or8)-aminonaphthalene-2-sulphonic acid was estimated as Koc -173.6 L/kg(log Koc=2.239) by means of MCI method at 25 deg.C. This Koc value indicates that the substance (5or8)-aminonaphthalene-2-sulphonic acid has low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Another predicted model Chemspider - ACD/PhysChem Suite indicate the soil adsorption coefficient i.e Koc value of test substance (5or8)-aminonaphthalene-2-sulphonic acid was estimated to be 1 L/Kg at pH 5.5 and at pH 7.4.

This estimated Koc Value concluded that the test substance (5or8)-aminonaphthalene-2-sulphonic acid have the tendency to low to negligible sorption to soil and sediment.

[LogKoc: 2.239]