Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Study period:
2010-09-09
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Following the formula in EUSES

Data source

Materials and methods

GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Methyl 3-oxo-2-pentylcyclopentaneacetate
EC Number:
246-495-9
EC Name:
Methyl 3-oxo-2-pentylcyclopentaneacetate
Cas Number:
24851-98-7
Molecular formula:
C13H22O3
IUPAC Name:
methyl 3-oxo-2-pentylcyclopentaneacetate
Details on test material:
- Smiles notation : O=C(OC)CC(C(C(=O)C1)CCCCC)C1

Results and discussion

Henry's Law constant H
H:
ca. 0 Pa m³/mol
Remarks on result:
other: The Temperature and the pressure were not available.

Applicant's summary and conclusion

Conclusions:
The Henry's constant is 8.48 10-5 Pa m3/mol.
Executive summary:

The calculated Henry's constant for the test material is 8.48 10-5 Pa m3/mol.