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Environmental fate & pathways

Henry's Law constant

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Description of key information

Parent compound butyryl chloride: From the water surface the substance will rapidly evaporate into the atmosphere.
Hydrolysis product butyric acid: 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):
0.001
at the temperature of:
25 °C

Additional information

Parent compound butyryl chloride:

The bond estimation method gives a value of 1.19 E+02 Pa*m³/mol (HENRYWIN Program, v3.20; EPI Suite v4.10; BASF SE, 2011), which is representative for the uncharged molecule. Based on the results of the EPI Suite calculation the substance will rapidly evaporate from the water surface into the atmosphere.


Butyryl chloride (CAS 141 -75 -3) rapidly decomposes in water and forms HCl (CAS 7647 -01 -0) and butyric acid (CAS 107 -92 -6).
Therefore, the model calculation may be of low relevance.

Hydrolysis product butyric acid:

The bond estimation method gives a value of 0.0978 Pa*m³/mol (HENRYWIN Program, v3.20; EPI Suite v4.10; BASF SE, 2011), 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 6.42 E-04 at pH 7 (BASF, 2011).

Based on the pH-corrected HLC, the substance will not evaporate from the water surface into the atmosphere.

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