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Environmental fate & pathways

Henry's Law constant

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Description of key information

From the water surface 1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl) will slowly evaporate into the atmosphere. 

Key value for chemical safety assessment

at the temperature of:
20 °C

Additional information

The Henry´s law constant (HLC, at 25°C) of 1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl) (CAS 1860-26-0) was estimated using two calculation models:

-The bond estimation method of the model HENRYWIN v.3.20 (implemented in EPISuite v4.11) calculated the HLC to be 1420 Pa*m³/mole (BASF SE, 2014). The data refer to the uncharged molecule. However, the substance is not within the applicability domain and the model does not consider the ionized character of the molecule at environmentally relevant pH conditions (pH 5 -9). Therefore, the results may be less accurate and might overestimate the evaporation potential. Moreover, the water solubility was determined to be < 2 µg/L.

-Using the VP/WS method, the Henry's Law Constant was calculated to be 90.4 Pa*m³/mol. According to Lyman (1985) the method is suitable for the prediction of the HLC, as the substance's water solubility is < 1mol/L.

Based on the estimated data from the VP/WS method, the substance is concluded to slowly evaporate into the atmosphere from the water surface.