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Diss Factsheets

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption
Remarks:
adsorption/desorption
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
June 2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: A computional method has been used because the substance does not sufficiently adsorb onto organic material due to its polarity and therefore high solubility in water.
Justification for type of information:
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The results as observed/predicted for EDTA-FeK are read across to EDTA-Fe(OH)K2 as in diluted form in the aquatic environment both EDTA complexes will have a similar structure and related fate.

2. ANALOGUE APPROACH JUSTIFICATION
It is therefore considered justified to use data/predictions as observed for EDTA-FeK also for EDTA-Fe(OH)K2.

Reason / purpose for cross-reference:
read-across source
Qualifier:
no guideline required
Principles of method if other than guideline:
Software used: KOCWIN v2.00(Jan. 2009) for log Koc
GLP compliance:
no
Type of method:
other: calculation
Media:
other: not relevant
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
Not relevant
Test temperature:
Not relevant
Computational methods:
KOCWIN v2.00(Jan. 2009) for log Koc
Phase system:
other: log Koc
Type:
other: log Koc
Value:
1
Remarks on result:
other: Estimate from MC
Phase system:
other: Log Koc
Type:
other: Log Koc
Value:
-4.91
Remarks on result:
other: Estimate from log Kow

Log Koc calculation

KOCWIN v2.00 Results 

                Koc may be sensitive to pH!

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

NOTE: METAL (Na, Li or K) HAS BEEN REMOVED TO ALLOW ESTIMATION via MCI!

 Koc Estimate from MCI:

 ---------------------

        First Order Molecular Connectivity Index ........... : 9.919

        Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 5.7704

        Fragment Correction(s):

                 6  Nitrogen to Carbon (aliphatic) (-N-C).. : -1.2764

                 *  Organic Acid (-CO-OH) ............... : -1.6249

                 2  Misc (C=O) Group (aliphatic attach).... : -3.2093

        Corrected Log Koc .................................. : -0.3402

        Over Correction Adjustment to Lower Limit Log Koc ... : 1.0000

 

                        Estimated Koc: 10 L/kg  <===========

 

 Koc Estimate from Log Kow:

 -------------------------

        Log Kow (Kowwin estimate) ......................... : -8.09

        Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : -3.5497

        Fragment Correction(s):

                 6  Nitrogen to Carbon (aliphatic) (-N-C).. : -0.1307

                 *  Organic Acid (-CO-OH) ............... : -0.7694

                 2  Misc (C=O) Group (aliphatic attach).... : -0.4586

        Corrected Log Koc .................................. : -4.9084

 

                        Estimated Koc: 1.235e-005 L/kg  <===========

 

 

Conclusions:
Calculation with KOWWINv2.00 : Log Koc=1 (Estimate from MC) or -4.91 (Estimate from Log Kow.)
Executive summary:

The estimated log Koc values are less than the threshold value of 3, indicating no adsorbing potential for this compound. Additionally, this compound is mostly negatively charged at relevant environmental pH values, reducing its chances of being adsorbed to soil minerals/humic acids.

Description of key information

The available literature data indicate a low sorption potential of EDTA metal complexes in soil

Calculation with KOCWIN v2.00 : Log Koc=1 (Estimate from MC) or -4.91 (Estimate from Log Kow.)

The estimated log Koc values are less than the threshold value of 3, indicating no adsorbing potential for this compound. Additionally, since this compound is mostly negatively charged at relevant environmental pH values, reducing its chances of being adsorbed to soil minerals/humic acids.

Key value for chemical safety assessment

Koc at 20 °C:
10

Additional information

Software used: KOCWIN v2.00 (Jan. 2009) for log Koc. A computional method has been used because the substance does not sufficiently adsorb onto organic material due to its polarity and therefore high solubility in water. 

[LogKoc: 1.0]