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EC number: - | CAS number: -
Henry's Law constant
Some information in this page has been claimed confidential.
Administrative data
- Endpoint:
- Henry's law constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 6 April 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Data source
Reference
- Reference Type:
- other: computer model
- Title:
- Unnamed
- Year:
- 2 008
Materials and methods
Test guideline
- Guideline:
- other: ECHA Guidance R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: EPIWIN v4.1
- Model(s) used: HENRYWIN v3.20
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification'
Test material
Reference
- Name:
- Unnamed
- Type:
- Constituent
- Specific details on test material used for the study:
- Modelling was performed for the main organic moieties of the registered subtance. For SMILES codes please refer to the QPRFs attached under 'Attached justification'.
Results and discussion
Henry's Law constant Hopen allclose all
- H:
- 0 atm m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: constituent 1
- H:
- 0 atm m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: constituent 2
- H:
- 0 atm m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: constituent 3
Applicant's summary and conclusion
- Conclusions:
- Applying the Bond method of the QSAR model HENRYWIN v3.20 implemented in EPIWIN v4.1 the Henrys Law constant of the main organic moeities of the registered substances was as follows:
1.46E-14 atm m3/mol
1.16E-16 atm m3/mol
2.98E-9 atm m3/mol - Executive summary:
The Henrys Law constant of the registered substance was calculated by QSAR for the main organic constituents. Applying the Bond method of the QSAR model HENRYWIN v3.20 implemented in EPIWIN v4.1 the Henrys Law constant of the main organic moeities of the registered substances was as follows:
1.46-14 atm m3/mol
1.16-16 atm m3/mol
2.98-9 atm m3/mol
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
