Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 231-391-8 | CAS number: 7529-22-8
Henry's Law constant
Administrative data
Link to relevant study record(s)
- 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:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR predictions were conducted using HenryWin v3.20 (2008) according to two different methods: an estimation based on the bond contribution methodology and an estimation based on the group contribution methodology.
- H:
- 0 Pa m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: Bond estimation method. Standard atmospheric pressure is anticipated.
- Conclusions:
- Using HenryWin v3.20, the Henry's Law Constant of the substance was estimated to be 2.03E-9 Pa m³/mol based on the bond estimation method. A calculation based on the group estimation method could not be made as not for all groups a contribution value is available from the database. The estimated value indicates that the substance will be predominantly in the water phase.
- Executive summary:
Using HenryWin v3.20, the Henry's Law Constant of the substance was estimated to be 2.03E-9 Pa m³/mol based on the bond estimation method. A calculation based on the group estimation method could not be made as not for all groups a contribution value is available from the database. The estimated value indicates that the substance will be predominantly in the water phase.
Reference
A calculation based on the group estimation method could not be made as not for all groups a contribution value is available from the database.
Description of key information
The Henry's Law Constant of the substance was calculated to be 2.03E-9 Pa m³/mol following the bond estimation method (HenryWin, US EPA, 2011).
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0
- at the temperature of:
- 25 °C
Additional information
The Henry's Law Constant (HLC) is calculated following the bond estimation method to be very low indicating that the substance will predominantly be in the water phase. A calculation based on the group estimation method could not be made as not for all groups a contribution value is available from the database.
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.
