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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
15 Apr 2013
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model
Justification for type of information:
(Q)SAR prediction: Franco, Fu & Trapp (partitioning, soil sorption coefficient, Koc), ionizable substances, acids and bases
Principles of method if other than guideline:
Calculation based on QSAR model in Franco, A. and Trapp, S., Env Tox Chem 27, 10, pp. 1995-2004, 2008. The models are applicable for ionizable organic chemicals or organic electrolytes: acids, bases and amphoters.
GLP compliance:
no
Type of method:
other: calculation
Media:
soil
Type:
Koc
Value:
334.03 L/kg
Remarks on result:
other: from eq. (3)
Type:
log Koc
Value:
2.52 dimensionless
Remarks on result:
other: from eq. (3)
Type:
Koc
Value:
158.41 L/kg
Remarks on result:
other: from eq. (5)
Type:
log Koc
Value:
2.2 dimensionless
Remarks on result:
other: from eq. (5)

Description of key information

log Koc = 2.2-2.5 (pH 7, 25 °C, Franco, Fu & Trapp)

Key value for chemical safety assessment

Additional information

No experimental studies are available, in which the adsorption /desorption potential of Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate (CAS 30364 -51-3) was assessed. Therefore, the log Koc was calculated by the QSAR at the environmentally relevant pH value 7 using the Franco, Fu & Trapp. The model input parameters are the pH value, the pKa value of the acid forms (3.96, SPARC v4.6) and the log Pn (1.35, (Q)SAR, KOWWIN v1.68), corresponding to the log Kow of the non-ionized form.

The resulting log Koc values range from 2.2 to 2.5 (Koc = 158.41 – 334.03 L/kg), indicating a low potential for adsorption of the substance to soil and sediment particles. Thus, the substance is expected to be mobile in surface waters at the environmentally relevant pH value of 7.

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