Registration Dossier
Registration Dossier
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EC number: 203-921-8 | CAS number: 111-92-2
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
From the water surface, dibutylamine will slowly evaporate into the atmosphere.
Key value for chemical safety assessment
Additional information
Experimental values are availabe for dibutylamine (CAS 111 -92 -2). In a publication of Christie and Crisp (1967), the substance is reported to have a measured Henry's Law constant (HLC) of 9.02 Pa*m³/mol at 25 °C (cited in HENRYWIN v3.20, EPI Suite v4.11). In a HPLC-study, using a thermodynamic method, Altschuh et al. (1999) determined a HLC at 25 °C of 0.99 Pa*m3/mol.
In addition, the HLC was calculated by two methods:
- using the bond estimation method of HENRYWIN v3.20 (EPISuite v 4.11; BASF SE 2019) the HLC was calculated to be 9.23 Pa*m³/mol.This estimation refers to the uncharged molecule. The substance is within the applicability domain of the model.
- using the VP/WS method, the Henry's Law Constant was calculated to be 7.48 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.
The highest value (9.23Pa*m³/mol, HENRYWIN v3.20) was used for the risk assessment.
In conclusion, based on a weight-of-evidence approach of the experimental and calculated data, diethylamine is expected to slowly evaporate into the atmosphere from the water surface.
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