Registration Dossier
Registration Dossier
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EC number: 225-059-1 | CAS number: 4635-59-0
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
Parent compound: From the water surface, the substance will slowly evaporate into the atmosphere.
Hydrolysis product: From the water surface, the substance will not evaporate into the atmosphere.
However, the assessment of the volatility of the parent compound may be of low relevance due to the rapid hydrolysis of the acid chloride in aqueous solutions.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0
- at the temperature of:
- 25 °C
Additional information
Parent compound 4 -chlorobutyryl chloride:
The bond estimation method gives a value of 41.8 Pa*m³/mol (HENRYWIN Program, v3.20; EPI Suite v4.10; BASF SE, 2012), which is representative for the uncharged molecule. Based on the results of the EPI Suite calculation the substance will slowly evaporate from the water surface into the atmosphere.
4 -chlorobutyryl chloride (CAS 4635 -59 -0) rapidly decomposes in water and forms HCl (CAS 7647 -01 -0) and 4 -chlorobutyric acid (CAS 627 -00 -9).
Therefore, the model calculation may be of low relevance.
Hydrolysis product 4 -chlorobutyric acid:
The bond estimation method gives a value of 0.0345 Pa*m³/mol (HENRYWIN Program, v3.20; EPI Suite v4.10; BASF SE, 2012), which is representative for the uncharged molecule. At environmental conditions the molecule is expected to be ionised, therefore a pH-corrected HLC was calculated according to the REACH Guidance document (2008). The resulting Henry's Law constant was 0.0000771 at pH 7 (BASF, 2012).
Based on the pH-corrected HLC, the substance will not evaporate from the water surface into the atmosphere.
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