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Environmental fate & pathways

Adsorption / desorption

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Description of key information

The adsorption/desorption is calculated with the KOCWIN program (v2.00) resulting in a Koc = 3.461 L/kg based on a Log Kow= -0.37.

Key value for chemical safety assessment

Koc at 20 °C:
3.461

Additional information

The adsorption/desorption calculation with the KOCWIN program (v2.00) see below:

KOCWIN Program (v2.00) Results:

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SMILES : O(CCO1)C1

CHEM  : 1,3-Dioxolane

MOL FOR: C3 H6 O2

MOL WT : 74.08

--------------------------- KOCWIN v2.00 Results ------------------------

 

Koc Estimate from MCI:

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First Order Molecular Connectivity Index ........... : 2.500

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 1.9031

Fragment Correction(s):

2  Ether, aliphatic (-C-O-C-)  ................... : -1.7432

Corrected Log Koc .................................. : 0.1599

 

Estimated Koc: 1.445 L/kg  <===========

 

Koc Estimate from Log Kow:

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Log Kow (experimental DB)  ......................... : -0.37

Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 0.7204

Fragment Correction(s):

2  Ether, aliphatic (-C-O-C-) ................... : -0.1812

Corrected Log Koc .................................. : 0.5392

 

Estimated Koc: 3.461 L/kg  <==========