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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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