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

Octanol–Water Partition Coefficient Measurement by a Simple 1H NMR Method
Learning Objets
Summary
This article describes a simple approach for measuring the octanol-water partition coefficient (Kow) of organic compounds using a simple miniature variation of the shake-flask method in an NMR tube, which can be quickly analyzed using a benchtop 1H NMR spectrometer. The article also details the scope and limitations of the method. Kow is an important metric for understanding bioaccumulation and toxicity of compounds in living organisms and in the environment.

Full citation: Cumming, H.; Rücker, C. Octanol–Water Partition Coefficient Measurement by a Simple 1 H NMR Method. ACS Omega 2017, 2 (9), 6244–6249. https://doi.org/10.1021/acsomega.7b01102.

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Moderation state
Published
Object Type
Laboratory experiment
Journal articles
Audience
Introductory Undergraduate
Upper/Advanced Undergraduate
Graduate or Professional Training (e.g., Postdoctoral Fellows, Early-Career Professionals)
Other Faculty Educators/Teachers
Published on
Green Chemistry Principles
Safer Solvents and Auxiliaries
Real-Time Pollution Prevention
Learning Goals/Student Objectives
While there are no specific educational applications highlighted in the article, the authors suggest the ease of use and simplicity of the method would make it easily amenable to educational settings (such as student laboratories).

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Safety Precautions, Hazards, and Risk Assessment
See published article for more details.