Octanol-Water Partition Coefficient Measurement by a Simple 1H NMR Method
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Authors
We describe a simple miniature shake-flask method to measure the octanol-water partition coefficient of an organic compound. Partition between water and octanol is performed in an NMR tube; the aqueous phase is analyzed by 1H NMR spectroscopy using a benchtop low-field NMR instrument. Neither pre-equilibration of solvents nor isolation of the two phases is required. The procedure is fast and easy enough to be used in a students' laboratory. Scope and limitations as well as possible sources of error are discussed in detail.
Original language | English |
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Journal | ACS Omega |
Volume | 2 |
Issue number | 9 |
Pages (from-to) | 6244-6249 |
Number of pages | 6 |
ISSN | 2470-1343 |
DOIs | |
Publication status | Published - 30.09.2017 |
- Chemistry