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Partition coefficient

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Description of key information

According to an experimental database match (Hansch, C. et al. 1995) of the QSAR model software EpiSuite v.4.1, acetic acid (SMILES code: O=C(O)C) has a log Kow of -0.17 (no temperature provided) whereas the low Kow estimated with KOWWIN v1.68 amounts to 0.09 at 25°C.

Reference: Hansch, C., Leo, A., D. Hoekman. 1995. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., p. 4.

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Log Kow (Log Pow):

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