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EC number: 215-325-5 | CAS number: 1321-74-0
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Estimation of soil adsorption coefficient (Koc) of test chemical 1,2-di(ethenyl)benzene in soil.
- GLP compliance:
- not specified
- Type of method:
- other: No data available
- Media:
- soil
- Specific details on test material used for the study:
- - Name of test material (IUPAC Name): 1,2-di(ethenyl)benzene- Common name: Divinyl benzene- Molecular formula: C10H10- Molecular weight: 131.1969 g/mol- Smiles notation: C=Cc1ccccc1C=C- InChI:1S/C10H10/c1-3-9-7-5-6-8-10(9)4-2/h3-8H,1-2H2- Substance type: Organic- Physical state: Liquid
- Radiolabelling:
- not specified
- Analytical monitoring:
- not specified
- Key result
- Type:
- Koc
- Value:
- >= 215 - < 510 dimensionless
- Remarks on result:
- other: Log Koc= 2.332 to 2.70
- Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The adsorption coefficient (Koc) value of test substance 1,2-di(ethenyl)benzene was calculated to be in the range 215-510, respectively.
- Executive summary:
Adsorption study in soil was conducted for estimating the adsorption coefficient (Koc) value of test chemical 1,2-di(ethenyl)benzene (CAS no. 1321-74-0). The adsorption coefficient (Koc) value of test substance 1,2-di(ethenyl)benzene was calculated to be in the range 215-510 (Log Koc = 2.332 to 2.70). This Koc value indicates that the substance 1,2-di(ethenyl)benzene has a low to moderate sorption tosoil and sediment and therefore have moderate to slow migration potential to ground water.
Reference
According to a classification scheme, the estimated Koc value suggests that chemical 1,2-di(ethenyl)benzene will have low to slight mobility in soils.
Description of key information
Adsorption study in soil was conducted for estimating the adsorption coefficient (Koc) value of test chemical 1,2-di(ethenyl)benzene (CAS no. 1321-74-0) (Handbook, 1999). The adsorption coefficient (Koc) value of test substance 1,2-di(ethenyl)benzene was calculated to be in the range 215-510 (Log Koc = 2.332 to 2.70). This Koc value indicates that the substance 1,2-di(ethenyl)benzene has a low to moderate sorption tosoil and sediment and therefore have moderate to slow migration potential to ground water.
Key value for chemical safety assessment
- Koc at 20 °C:
- 215
Additional information
Experimental study and various predicted data for the target compound 1,2-di(ethenyl)benzene (CAS No. 1321-74-0) and supporting study 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 handbook (1999),adsorption experiment in soil was conducted for estimating the adsorption coefficient (Koc) value of test chemical 1,2-di(ethenyl)benzene (CAS no. 1321-74-0). The adsorption coefficient (Koc) value of test substance 1,2-di(ethenyl)benzene was calculated to be in the range 215-510 (Log Koc = 2.332 to 2.70). This Koc value indicates that the substance 1,2-di(ethenyl)benzene has a low to moderate sorption to soil and sediment and therefore have moderate to slow migration potential to ground water.
In aprediction done using theKOCWIN Programof Estimation Programs Interface, the soil adsorption coefficient i.e Koc value of test chemical 1,2-di(ethenyl)benzene (CAS No. 1321 -74 -0) was estimated. The soil adsorption coefficient i.e Koc value of 1,2-di(ethenyl)benzene was estimated to be 1393 L/kg (log Koc=3.1440) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 1,2-di(ethenyl)benzene has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
The Soil Adsorption Coefficient i.e Koc value of test substance 1,2-di(ethenyl)benzene (CAS no. 1321 -74 -0) was estimated using Adsorption Coefficient module program as Koc 1281 at pH range 1-14, respectively (logKoc = 3.1 ± 1.0, respectively) (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)).The logKoc value indicates that the substance 1,2-di(ethenyl)benzene has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
In a supporting study from authoritative database (HSDB, 2017) for the test item,adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of test chemical. The adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of test substance was estimated to be 716 (Log Koc = 2.854). This Koc value indicates that the substance has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
Another adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical (secondary source, 2017). The adsorption coefficient (Koc) value was calculated using a measured water solubility of 89 mg/l at 25°C and a linear regression equation. The adsorption coefficient (Koc) value of test substance was estimated to be 370 (Log Koc = 2.568). This Koc value indicates that the test substance has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
For the test chemical,adsorption study was conducted for estimating the adsorption coefficient (Koc) value of test chemical (authoritative database, 2017). The adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of test substance was estimated to be 840 (Log Koc = 2.92). This Koc value indicates that the test substance 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 1,2-di(ethenyl)benzene (from handbook and modelling databases,2017), it can be concluded that the Koc value of test substance 1,2-di(ethenyl)benzene was estimated to be ranges from 215 to 1393, indicating that the test chemical 1,2-di(ethenyl)benzene has a low to moderate sorption to soil and sediment and therefore have moderate to slow migration potential to ground water.
[LogKoc: 2.332]
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