Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption

Remarks:

adsorption

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Estimated data generated using the EPI Suite model developed by the USEPA.

Qualifier:

according to guideline

Guideline:

other: Modeling database

Principles of method if other than guideline:

Prediction done using KOCWIN Program (v2.00)

GLP compliance:

not specified

Type of method:

other: MCI Method

Media:

soil

Specific details on test material used for the study:

- Name of test material : Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates
- Substance type: Organic
- Physical state: Solid

Radiolabelling:

not specified

Test temperature:

25 deg.C

Analytical monitoring:

not specified

Key result

Type:

Koc

Value:

3 330 000 000 L/kg

Temp.:

25 °C

Remarks on result:

other: Log Koc = 9.52 (estimated by MCI method)

Transformation products:

not specified

Validity criteria fulfilled:

not specified

Conclusions:

The soil adsorption coefficient i.e Koc value of Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 3330000000 L/kg (log Koc= 9.52) by means of MCI method (at 25 deg C). This Koc value indicates that the substance Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.

Executive summary:

KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2018) was used to predict the soil adsorption coefficient i.e Koc value of test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS No. 68647 -35 -8). The soil adsorption coefficient i.e Koc value of Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 3330000000 L/kg (log Koc= 9.52) by means of MCI method (at 25 deg C). This Koc value indicates that the substance Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.

Description of key information

KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2018) was used to predict the soil adsorption coefficient i.e Koc value of test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS No. 68647 -35 -8). The soil adsorption coefficient i.e Koc value of Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 3330000000 L/kg (log Koc= 9.52) by means of MCI method (at 25 deg C). This Koc value indicates that the substance Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:

3 330 000 000

Additional information

Predicted data for the target compound Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS No.68647-35-8) and supporting study for its closest read across substance were reviewed for the adsorption end point which are summarized as below:

 

In aprediction done using the KOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2018) was used to predict the soil adsorption coefficient i.e Koc value of test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS No. 68647 -35 -8). The soil adsorption coefficient i.e Koc value of Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 3330000000 L/kg (log Koc= 9.52) by means of MCI method (at 25 deg C).

 

For the read across chemical 4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride (CAS no. 2465-27-2) from authoritative database (HSDB, 2017),adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical 4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride (CAS no. 2465-27-2). The adsorption coefficient (Koc) value was calculated using a structure estimation method. The adsorption coefficient (Koc) value of substance 4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride was estimated to be 50,000 (Log Koc = 4.698).

 

On the basis of above overall results for target chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates(from EPI suite,2018) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the Koc value of test substance Benzenamine, 4 -[(4 -aminophenyl)(4 -imino-2,5 -cyclohexadien-1 -ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 3330000000 L/kgindicating that the test chemical Benzenamine, 4 -[(4 -aminophenyl)(4 -imino-2,5 -cyclohexadien-1 -ylidene)methyl]-, N-Me derivatives, molybdatesilicates has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.

[LogKoc: 9.52]