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EC number: 914-129-3 | CAS number: 12336-95-7
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:
- key study
- Study period:
- 10 AUG 2021
- 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
- Justification for type of information:
- 1. SOFTWARE
OECD QSAR Toolbox v4.4.1, EpiSuite v4.11
2. MODEL (incl. version number)
HENRYWIN v3.21
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
OOS(O)(=O)=O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
please refer to the QMRF attached under 'Attached justification'
5. APPLICABILITY DOMAIN
please refer to the QPRF attached under 'Attached justification' - Guideline:
- other: ECHA Guidance R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version:
OECD QSAR Toolbox v4.4.1, EpiSuite v4.11
- Model(s) used: HENRYWIN v3.21
- Model description: see field 'Justification for non-standard information', 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' - Specific details on test material used for the study:
- OOS(O)(=O)=O
- H:
- 0 atm m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: pressure not specified
- H:
- 0 Pa m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: pressure not specified
- Conclusions:
- The Henry's Law Constant for hydroxide sulfate was predicted to be 6.43E-11 atm-m³/mole (6.52E-006 Pa-m³/mole).
- Executive summary:
The Henry's Law Constant for hydroxide sulfate was predicted by the QSAR model HENRYWIN v3.21 (EpiSuite v4.11, 2017). It was predicted to be 6.43-11 atm-m³/mole (6.52-6 Pa-m³/mole).
Reference
Description of key information
The Henry's Law Constant for hydroxide sulfate was predicted by the QSAR model HENRYWIN v3.21 (EpiSuite v4.11, 2017). It was predicted to be 6.43-11 atm-m³/mole (6.52-6 Pa-m³/mole).
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0
- at the temperature of:
- 25 °C
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