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Diss Factsheets

Administrative data

Endpoint:
hydrolysis
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:
Hydrolysis 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:
HYDROWIN Program (v2.00) from EPI Suite estimation database
GLP compliance:
no

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

Analytical monitoring:
not specified
Estimation method (if used):
AopWin v1.92
Duration of test
Duration:
110.511 h

Results and discussion

Transformation products:
not specified
Dissipation DT50 of parent compound
Temp.:
25 °C
DT50:
110.511 h
Type:
other: Estimation
Remarks on result:
other: OVERALL OH Rate Constant = 1.1614 E-12 cm3/molecule-sec.

Any other information on results incl. tables

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.1614 E-12 cm3/molecule-sec

Half-Life = 9.209 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 110.511 Hrs

Applicant's summary and conclusion

Conclusions:
The hydrolysis rate constant of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was estimated to be 1.1614 E-12 cm3/molecule-sec at half life of 110.511 Hrs.This estimated half life ( 110.511 hr ) indicates that the 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile is rapidly hydrolysable.
Executive summary:

The hydrolysis rate constant of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was estimated to be 1.1614 E-12 cm3/molecule-sec at half life of 110.511 Hrs.This estimated half life ( 110.511 hr ) indicates that the 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile is rapidly hydrolysable.

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