Octanol–Water Partition Coefficient Measurement by a Simple 1H NMR Method | Zendy

Hemi Cumming | Zendy; Christoph Rücker | Zendy

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Octanol–Water Partition Coefficient Measurement by a Simple ¹H NMR Method

Author(s) -

Hemi Cumming,

Christoph Rücker

Publication year - 2017

Publication title -

acs omega

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.779

H-Index - 40

ISSN - 2470-1343

DOI - 10.1021/acsomega.7b01102

Subject(s) - partition coefficient , simple (philosophy) , chemistry , partition (number theory) , analytical chemistry (journal) , mathematics , chromatography , combinatorics , philosophy , epistemology

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 1 H 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.

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