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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Environmental fate & pathways

Adsorption / desorption

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Administrative data

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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
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]