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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data is from HSDB and PubChem authoritative database
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Soil adsorption coefficient (Koc) of test chemical was estimated using a logKow and a regression derived equation.
GLP compliance:
not specified
Type of method:
other: No data available
Media:
soil
Radiolabelling:
not specified
Analytical monitoring:
not specified
Computational methods:
- Other: Koc value of test chemical was estimated using a logKow of 1.26 and a regression derived equation.
Key result
Type:
Koc
Value:
120 dimensionless
Remarks on result:
other: Log Koc= 2.079
Transformation products:
not specified

According to a classification scheme, the estimated Koc value suggests that test chemical is expected to have high mobility in soil.

Validity criteria fulfilled:
not specified
Conclusions:
The adsorption coefficient (Koc) value of test chemical was estimated to be 120 calculated using a logKow and a regression derived equation.
Executive summary:

Adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical. The adsorption coefficient (Koc) value was calculated using a logKow of 1.26 and a regression derived equation. The adsorption coefficient (Koc) value of test chemical was estimated to be 120 (Log Koc = 2.079). This Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

Description of key information

Adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical (HSDB and PubChem, 2017). The adsorption coefficient (Koc) value was calculated using a logKow of 1.26 and a regression derived equation. The adsorption coefficient (Koc) value of test chemical was estimated to be 120 (Log Koc = 2.079). This Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:
120

Additional information

Various experimental studies and predicted data of the test chemical and supporting studies for its structurally similar read across substance were reviewed for the adsorption end point which are summarized as below:

 

In an experimental key study from authoritative database (HSDB and PubChem, 2017) for the test chemical,adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical. The adsorption coefficient (Koc) value was calculated using a logKow of 1.26 and a regression derived equation. The adsorption coefficient (Koc) value of test chemical was estimated to be 120 (Log Koc = 2.079).

 

In a prediction done using the KOCWIN Program of Estimation Programs Interface (2018) was used to predict the soil adsorption coefficient i.e Koc value of test chemical. The soil adsorption coefficient i.e Koc value of test chemical was estimated to be 142.9 L/kg (log Koc=2.1552) by means of MCI method (at 25 deg C).

 

The Soil Adsorption Coefficient i.e Koc value of test chemical was estimated using Adsorption Coefficient module program as Koc 1, 3.14, 23.0, 79.9, 106, 108, 95.3, 42.6, 6.59 and 1  at pH range 0, 1, 2, 3, 4, 5, 6, 7, 8 and 9-14, respectively ((logKoc ranges from 0 to 2.0 ± 1.0) (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)).

 

In a supporting study from authoritative database (2018),the Koc value for test chemical was estimated by using a structure estimation method based on molecular connectivity indices. The estimated Koc value was 90 dimensionless and log Koc is 1.9542.

 

For the test chemical, adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical (HSDB, 2018). The adsorption coefficient (Koc) value was calculated using a logKow of 0.88 and a regression derived equation. The adsorption coefficient (Koc) value of test chemical was estimated to be 72 (Log Koc = 1.857).

 

On the basis of above overall results for test chemical (from authoritative and modelling database,2017), it can be concluded that the logKoc value of test chemical ranges from1.6 ± 1.0 –2.1552, respectively, indicating that the test chemical has a low to moderate sorption to soil and sediment and therefore have moderate to slow migration potential to ground water.

 

[LogKoc: 2.079]