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Environmental fate & pathways

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Adsorption/desorption

KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical Pyrazine-2-carboxylic acid (CAS No. 98 -97 -5). The soil adsorption coefficient i.e Koc value of Pyrazine-2-carboxylic acid was estimated to be 4.192 L/kg (log Koc=0.6225)  by means of MCI method (at 25 deg C). This Koc value indicates that the substance Pyrazine-2-carboxylic acid has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

Additional information

Adsorption/desorption

Various predicted data for the target compound Pyrazine-2-carboxylic acid (CAS No. 98-97-5) were reviewed for the adsorption end point which are summarized as below:

 

In a prediction done using theKOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017), the soil adsorption coefficient i.e Koc value of Pyrazine-2-carboxylic acid was estimated to be 4.192 L/kg (log Koc=0.6225) by means of MCI method (at 25 deg C).

 

The Soil Adsorption Coefficient i.e Koc value of test substance Pyrazine-2-carboxylic acid was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 2.76, 3.89, 3.95, 3.20, 1.09 and 1 at pH 0, 1, 2, 3, 4 and at pH range 5-14 respectively (log Koc ranges from 0.0 ± 1.0 to 0.6 ± 1.0)(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017).

 

In another prediction done by using ChemSpider Database (2017), the Soil Adsorption Coefficient i.e Koc value of test substance Pyrazine-2-carboxylic acid (CAS no. 98 -97 -5) was estimated. The adsorption coefficient (Koc) value of substance Pyrazine-2-carboxylic acid was estimated to be 1 (Log Koc = 0) at pH 5.5 and 7.4, respectively.

 

Additional soil adsorption coefficient i.e Koc value of test chemical Pyrazine-2-carboxylic acid (CAS No. 98 -97 -5)was estimated using the SciFinder database (American Chemical Society (ACS), 2017). The soil adsorption coefficient i.e Koc value of Pyrazine-2-carboxylic acid was estimated to be 10.1, 10.2, 8.28, 2.82 and 1 at pH 1, 2, 3, 4 and 5-10, respectively (log Koc = 0 to 1) (at 25 deg C).

 

On the basis of above overall results for target chemical Pyrazine-2 -carboxylic acid (from EPI suite, ACD labs,ChemSpider and SciFinder database, 2017), it can be concluded that the Koc value of test substance Pyrazine-2-carboxylic acid ranges from 1 –10.2 indicating that the test chemical Pyrazine-2-carboxylic acid has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.