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Henry's Law constant

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Reference
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).

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

Additional information