Registration Dossier
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EC number: 231-209-7 | CAS number: 7446-81-3
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
- Reliability:
- 1 (reliable without restriction)
- 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
EpiWin v4.11
2. MODEL (incl. version number)
HENRYWin v3.20
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O([Na])C(=O)C=C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see attached QMRF
5. APPLICABILITY DOMAIN
the substance is within the applicability domain
6. ADEQUACY OF THE RESULT
see attached QMRF - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- EpiWin v4.00 HENRYWin v3.20 calculation
- GLP compliance:
- no
- H:
- 0.029 Pa m³/mol
- Temp.:
- 25 °C
Reference
Description of key information
From the water surface the substance will not evaporate into the atmosphere.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0.029
- at the temperature of:
- 25 °C
Additional information
There are no experimental data available to determine the Henry ‘s Law Constant. Therefore, it was calculated with the reliable QSAR model HENRYWIN v3.20 (BASF, 2021). The constant was estimated to be 0.029 Pa*m3/mol at 25 °.
In water sodium acrylate will dissociate immediately into sodium- and acrylate-ions. Therefore, the estimation of the evaporation from the water surface into the atmosphere of sodium acrylate is based on acrylic acid. Henry's Law Constant of acrylic acid was calculated by Q(SAR) (SRC HENRYWIN v3.10) (BASF SE, 2008). The constant was estimated to be 0.029 Pa*m3/mol at 25 °C indicating that acrylic acid is essentially not volatile. Due to its pKa value of 4.0, the dissociated anionic form of acrylic acid is dominating under normal environmental conditions (pH range 5.5-9) as calculated by SPARC v4.2 (BASF SE 2009). Therefore, it has to be expected that the real partition of the total acrylic acid is determined only by its anionic form with a Henry's law constant being much lower than calculated above.
Thus, no evaporation of acrylic acid from the water surface into the atmosphere is expected under environmental conditions.
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