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Adsorption / desorption

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Parent compound butyryl chloride and hydrolysis product butyric acid: Adsorption to solid soil phase is not expected.
However, the assessment of the adsorption potential of the parent compound may be of low relevance, due to the rapid hydrolysis of the acid chlorid in aqueous solutions.

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Additional information

Parent compound butyryl chloride:

The adsorption potential of butyryl chloride (CAS 141 -75 -3) was calculated using EPI Suite v.4.10. The estimation for the uncharged molecules using the MCI and the Kow method of the KOCWIN v2.00 module from SRC EPISuite v4.10 are listed below.

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.

Uncharged molecule:

- MCI method: Koc = 2.749; log Koc = 0.4392

- Kow method: Koc = 9.504; log Koc = 0.9779

Based on the MCI method of the uncharged molecule, adsorption to solid soil is not expected.

Hydolysis compound butyric acid:

The adsorption potential was estimated for butyric acid (107 -92 -6) using the MCI and the Kow methods of the KOCWIN v2.00 module from SRC EPI Suite v4.10. These estimates are representative for uncharged molecules. The substance ionises in aqueous solutions, therefore the adsorption coefficient was calculated according to Franco & Trapp (2008).

 

Uncharged molecule:

- MCI method: Koc = 2.624; log Koc = 0.4190

- Kow method: Koc = 3.915; log Koc = 0.5927

Charged molecule:

- Franco & Trapp, 2008:

pH 4: Koc = 49; log Koc = 1.69

pH 5: Koc = 49; log Koc = 1.69

pH 7: Koc = 46; log Koc = 1.66

pH 9: Koc = 45; log Koc = 1.66

Based on the corrections for the charged molecule according to Franco & Trapp (2008), adsorption to solid soil phase is not expected.

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