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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Endpoint:
adsorption / desorption
Remarks:
adsorption
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Prediction model
Title:
Adsorption by EPI (Estimation Programs Interface) Suite
Author:
Sustainability Support Service (Europe) AB - estimated
Year:
2011
Bibliographic source:
Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.1

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Modeling database
Principles of method if other than guideline:
KOCWIN Program (v2.00)
GLP compliance:
no
Type of method:
other: estimation
Media:
soil

Test material

Constituent 1
Chemical structure
Reference substance name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
EC Number:
279-900-2
EC Name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
Cas Number:
82104-74-3
Molecular formula:
C9H5NO2
IUPAC Name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
Test material form:
solid: crystalline
Details on test material:
- Name of test material: 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
- Molecular formula: C9H5NO2
- Substance type: Organic
- Physical state: Solid
Radiolabelling:
not specified

Study design

Batch equilibrium or other method

Analytical monitoring:
not specified

Results and discussion

Adsorption coefficient
Type:
Koc
Value:
47.97
Temp.:
25 °C
Remarks on result:
other: Estimated via MCI method

Results: Batch equilibrium or other method

Transformation products:
not specified

Applicant's summary and conclusion

Conclusions:
Soil adsorption coefficient (Koc) value of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was estimated as 47.97 using MCI method. This Value indicates that 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile has very strong Adsorption to soil hence negligible migration potential to ground water.
Executive summary:

Soil adsorption coefficient (Koc) value of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was estimated as 47.97 using MCI method. This Value indicates that 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile has very strong Adsorption to soil hence negligible migration potential to ground water.