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EC number: 224-403-8 | CAS number: 4345-03-3
Log Kow(version 1.68 estimate): 12.00
MOL FOR: C33 H54 O5
MOL WT: 530.80
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
Frag | 8 | -CH3 [aliphatic carbon] | 0.5473 | 4.3784
Frag | 13 | -CH2- [aliphatic carbon] | 0.4911 | 6.3843
Frag | 3 | -CH [aliphatic carbon] | 0.3614 | 1.0842
Frag | 6 | Aromatic Carbon | 0.2940 | 1.7640
Frag | 1 | -O- [oxygen, one aromatic attach] |-0.4664 | -0.4664
Frag | 1 | -COOH [acid, aliphatic attach] |-0.6895 | -0.6895
Frag | 1 | -C(=O)O [ester, aliphatic attach] |-0.9505 | -0.9505
Frag | 1 | -tert Carbon [3 or more carbon attach] | 0.2676 | 0.2676
Const | | Equation Constant | | 0.2290
Log Kow = 12.0011
A study was conducted to determine the partition coefficient by modelling using KOWWIN v1.68 (EPI SUITE v 4.11). Under the study conditions, the log Pow of the test substance was found at 12 at 25 °C (US EPA, 2012).
The octanol-water partition coefficient was predicted by modelling through EPI SUITE v 4.11 (US EPA, 2012).
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