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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 2-Ethoxy-1-naphthoyl Chloride (CAS No. 55150 -29 -3). The soil adsorption coefficient i.e Koc value of 2-Ethoxy-1-naphthoyl Chloride was estimated to be 223.4 L/kg (log Koc=2.349)  by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-Ethoxy-1-naphthoyl Chloride has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

Additional information

Adsorption / desorption

Various predicted data for the target compound 2-Ethoxy-1-naphthoyl Chloride(CAS No. 55150-29-3) were reviewed for the adsorption end point which are summarized as below:

 

In aprediction done using theKOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 2-Ethoxy-1-naphthoyl Chloride (CAS No. 55150 -29 -3). The soil adsorption coefficient i.e Koc value of 2-Ethoxy-1-naphthoyl Chloride was estimated to be 223.4 L/kg (log Koc=2.349)  by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-Ethoxy-1-naphthoyl Chloride has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

The Soil Adsorption Coefficient i.e Koc value of test substance 2-Ethoxy-1-naphthoyl Chloride (CAS no. 55150 -29 -3) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 2459 (log Koc = 3.4 ± 1.0) at pH range 1-14 respectively(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). This Koc value indicates that the test substance 2-Ethoxy-1-naphthoyl Chloride has a moderate sorption to soil and therefore have slow migration potential to groundwater.

 

In an another prediction done by using ChemSpider Database (2017),the Soil Adsorption Coefficient i.e Koc value of test substance 2-Ethoxy-1-naphthoyl Chloride (CAS no. 55150 -29 -3) was estimated. The adsorption coefficient (Koc) value of substance 2-Ethoxy-1-naphthoyl Chloride was estimated to be 2191.65 (Log Koc = 3.34) at pH 5.5 and 7.4, respectively. This Koc value indicates that the substance 2-Ethoxy-1-naphthoyl Chloride has a moderate sorption to soil and sediment and therefore have slow migration potential to groundwater.

Additional soil adsorption coefficient i.e Koc value of test chemical2-Ethoxy-1-naphthoyl Chloride(CAS No. 55150-29-3)was estimated using the SciFinder database (American Chemical Society (ACS), 2017).The soil adsorption coefficient i.e Koc value of 2-Ethoxy-1-naphthoyl Chloride was estimated to be 1820 (log Koc = 3.26) (at 25 deg C). This Koc value indicates that the substance 2-Ethoxy-1-naphthoyl Chloride has amoderate sorption to soil and sediment and therefore have slow migration potential to groundwater.

 

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the adsorption coefficient i.e KOC for test substance 2-Ethoxy-1-naphthoyl Chloride was estimated to be 1600 L/kg (log Koc = 3.204).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance 2-Ethoxy-1-naphthoyl Chloride has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.

 

On the basis of above overall results for target chemical 2-Ethoxy-1-naphthoyl Chloride(from EPI suite, ACD labs,ChemSpider and CompTox Chemistry Dashboard,2017), it can be concluded that the Koc value of test substance 2-Ethoxy-1-naphthoyl Chloride ranges from 223.4–2459 indicating that the test chemical 2-Ethoxy-1-naphthoyl Chloride has a low to moderate sorption to soil and sediment and therefore have moderate to slow migration potential to ground water.