Registration Dossier
Registration Dossier
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EC number: 203-916-0 | CAS number: 111-86-4
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
The charged substance is not expected to evaporate from the water surface into the atmosphere.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0.008
- at the temperature of:
- 25 °C
Additional information
The Henry's Law Constant (HLC) was estimated based on experimental data for vapour pressure and water solubility.
Based on measured data for vapour pressure (0.81 hPa at 20 °C; BASF AG, 1993, BRU 93.298) and water solubility (320 mg/L at 20 °C; OXEA, 2009, 09 -72036.1) a HLC was estimated to be 32.85 Pa*m³/mol (HENRYWIN v3.20, EPI Suite v4.11; BASF, 2013).
According to the bond estimation method of HENRYWIN v3.20 (EPI Suite v4.11), the HLC was calculated to be 5.58 Pa*m³/mol (BASF SE; 2013). The substance is within the estimation domain of the model.
The substance's pKa of 10.6 indicates that it will exist primarily as a cation in the environment. Therefore the method described in the REACH Guidance Document R7a, Appendix R.7.1 -2 (pH correction of partition coefficients for ionisable substances, p. 189) was applied to correct for the pH. The HLC was corrected for the charged molecule to a value of 8.25E-3 Pa*m³/mol at pH 7 (range: 8.25E-06 to 8.05E-01 Pa*m³/mol, pH 4 to 9; BASF SE, 2013).
In conclusion, the HLC of the charged molecule is expected to be < 1 Pa*m³/mol (pH 7, 25°C). Therefore, from the water the charged substance will not evaporate into the atmosphere.
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