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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model. Calculation for main component of Reaction product of fatty acids C14-18/C16-18 unsaturated with dihydrogendioxide and ammonia.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: model calculation report
Title:
Unnamed

Materials and methods

Principles of method if other than guideline:
Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
9,10-dihydroxy hexadecanoic acid
IUPAC Name:
9,10-dihydroxy hexadecanoic acid
Details on test material:
- Name of test material (as cited in study report): 9,10-dihydroxy hexadecanoic acid
- Molecular formula (if other than submission substance): C16H32O4
- Molecular weight (if other than submission substance): 288.34
- Smiles notation (if other than submission substance): CCCCCCC(C(CCCCCCCC(=O)O)O)O
- Analytical purity: not applicable

Results and discussion

Henry's Law constant H
H:
0 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: bond estimation

Applicant's summary and conclusion