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

Hemi Cumming; Christoph Rücker

doi:10.1021/acsomega.7b01102

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

Hemi Cumming
, Christoph Rücker^*

^*Korrespondierende/r Autor/-in für diese Arbeit

Victoria-Universität von Wellington

Publikation: Beiträge in Zeitschriften › Zeitschriftenaufsätze › Forschung › Begutachtung

154 Zitate (Scopus)

Abstract

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.

Originalsprache	Englisch
Zeitschrift	ACS Omega
Jahrgang	2
Ausgabenummer	9
Seiten (von - bis)	6244-6249
Seitenumfang	6
ISSN	2470-1343
DOIs	https://doi.org/10.1021/acsomega.7b01102
Publikationsstatus	Erschienen - 30.09.2017

Fachgebiete und Schlagwörter

Chemie

ASJC Scopus Sachgebiete

Chemie (insg.)
Chemische Verfahrenstechnik (insg.)

Zugriff auf Dokument

10.1021/acsomega.7b01102Lizenz: Andere

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