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Environmental fate & pathways

Henry's Law constant

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Description of key information

Key value for chemical safety assessment

Additional information

Parent substance EC 401 -280 -0

No data are available on the original structure EC 401 -280 -0. As this substance hydrolyses very fast only the degradation products need to be considered.

Hydrolysis products:

bis(2 -ethylhexyl)amine

The Henry's law constant at 25 °C was estimated to be 89 Pa*m³/mol using SRC HENRYWIN v3.20 (BASF, 2013). The substance was within the estimation domain of the model, but the estimate is less accurate since the maximum number of occurrence of two bonds was exceeded by the substance. The HENRYWIN estimate refers to the uncharged molecule. This estimate is supported by a calculated HLC based on measured data for vapour pressure and water solubility. The resulting HLC is 6.7 Pa*m³/mol (BASF, 2013). The estimated HLC values indicate that the substance will slowly evaporate into the atmosphere. However, most of the molecules of the test item will be present in a protonated form under environmental relevant pH conditions (pKa = 10.56). Considering that, the range of the HLC was calculated to be 2.29E-4 to 2.23 Pa*m³/mol under environmentally relevant conditions with pH values from 5 to 9. Therefore, the substance will slowly evaporate into the atmosphere from the water surface at pH 9.0 but not at pH 7 and lower.

formaldehyde

From the water surface the substance is not expected to evaporate into the atmosphere (Betterton 1988).

1H-1,2,4 -triazole

  • No data on Henry's Law constant is available.