Registration Dossier
Registration Dossier
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EC number: 203-996-7 | CAS number: 112-67-4
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
Parent compound palmitoyl chloride: no data.
Hydrolysis product palmitic acid: The hydrolysis product palmitic acid will not evaporate into the atmosphere from the water surface.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0.324
- at the temperature of:
- 25 °C
Additional information
QSAR disclaimer
In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met.
According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.
For the assessment of the hydrolysis product palmitic acid (CAS 57 -10 -3) (Q)SAR results were used for the estimation of the Henry’s Law constant. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.
Therefore, further experimental studies on the Henry’s Law Constant are not provided.
Assessment
Palmitoyl chloride (CAS 112 -67 -4) rapidly hydrolyses in contact with water to form palmitic acid (CAS 57 -10 -3) and hydrogen chloride (CAS 7647-01-0, see IUCLID Ch. 5.1.2). Due to this rapid hydrolysis, the assessment of the adsorption potential of the parent compound is considered to be of low relevance. Therefore, the assessment of adsorption potential is based solely on the data available for palmitic acid.
Experimental data on the Henry's Law Constant are not available for the hydrolysis product palmitic acid. Therefore, the HLC was calculated using the VP/WS method. The HLC was calculated to be 0.324 Pa*m³/mol (BASF SE, 2020). According to Lyman (1985) this method is suitable for the prediction of the HLC, as the substance's water solubility is < 1mol/L.
In conclusion, the hydrolysis product palmitic acid will not evaporate into the atmosphere from the water surface.
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