Registration Dossier
Registration Dossier
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EC number: 279-900-2 | CAS number: 82104-74-3
Hydrolysis
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:
- 2 011
- 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
- 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
Constituent 1
- 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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