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Administrative data

Endpoint:
Henry's law constant
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:
HENRYs LAW CONSTANT 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: Modelling database
Principles of method if other than guideline:
HENRYWIN (v3.20) Program
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

Results and discussion

Henry's Law constant H
H:
0.012 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: 0.000000123 atm-m3/mole = 0.012462975 Pa m³/mol

Applicant's summary and conclusion

Conclusions:
Henry's law constant of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was estimated as 0.012462975 Pa m³/mol at 25 deg C
Executive summary:

Henry's law constant of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was estimated as 0.012462975 Pa m³/mol at 25 deg C

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