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EC number: 946-101-1
CAS number: -
The weighted average log Koc of the test
substance was estimated to be 6.98 using the MCI (Molecular Connectivity
Index) approach of the KOCWIN v2.00 program (EPISuite v4.1).
soil adsorption coefficient (Koc) value for the test substance was
estimated using the MCI (Molecular Connectivity Index) approach of the
KOCWIN v2.00 program (EPISuite v4.1). Since the test substance is a UVCB
with several constituents varying mainly in carbon chain lengths, the
Koc values were estimated for the individual components using the MCI
(Molecular Connectivity Index) approach followed by the determination of
an overall weighted-average value using the mole fractions of all the
individual components. SMILES codes were used as the input parameter for
the log Koc estimations for the individual constituents. The estimated
log Koc of the individual constituents ranged from 4.19 to 14.21 and the
weighted average log Koc value of the test substance was 6.98 (US EPA,
2017). This indicates a high potential for adsorption to organic matter
(White, 2009). The evaluation of the applicability domain indicated that
the estimates for all the constituents are reliable and accurate.
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