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

Research output: Journal contributions › Journal articles › Research › peer-review

Standard

Octanol-Water Partition Coefficient Measurement by a Simple 1H NMR Method. / Cumming, Hemi; Rücker, Christoph.
In: ACS Omega, Vol. 2, No. 9, 30.09.2017, p. 6244-6249.

Research output: Journal contributions › Journal articles › Research › peer-review

Harvard

Cumming, H & Rücker, C 2017, 'Octanol-Water Partition Coefficient Measurement by a Simple 1H NMR Method', ACS Omega, vol. 2, no. 9, pp. 6244-6249. https://doi.org/10.1021/acsomega.7b01102

APA

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

Vancouver

Cumming H, Rücker C. Octanol-Water Partition Coefficient Measurement by a Simple 1H NMR Method. ACS Omega. 2017 Sept 30;2(9):6244-6249. doi: 10.1021/acsomega.7b01102

Bibtex

@article{b3fa755fcc8a43e5a51dd0e09e25fe62,
title = "Octanol-Water Partition Coefficient Measurement by a Simple 1H NMR Method",
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.",
keywords = "Chemistry",
author = "Hemi Cumming and Christoph R{\"u}cker",
year = "2017",
month = sep,
day = "30",
doi = "10.1021/acsomega.7b01102",
language = "English",
volume = "2",
pages = "6244--6249",
journal = "ACS Omega",
issn = "2470-1343",
publisher = "American Chemical Society",
number = "9",

}

RIS

TY - JOUR

T1 - Octanol-Water Partition Coefficient Measurement by a Simple 1H NMR Method

AU - Cumming, Hemi

AU - Rücker, Christoph

PY - 2017/9/30

Y1 - 2017/9/30

N2 - 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.

AB - 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.

KW - Chemistry

UR - http://www.scopus.com/inward/record.url?scp=85046845643&partnerID=8YFLogxK

U2 - 10.1021/acsomega.7b01102

DO - 10.1021/acsomega.7b01102

M3 - Journal articles

C2 - 31457869

AN - SCOPUS:85046845643

VL - 2

SP - 6244

EP - 6249

JO - ACS Omega

JF - ACS Omega

SN - 2470-1343

IS - 9

ER -

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Research output: Journal contributions › Comments / Debate / Reports › Research

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Research output: Journal contributions › Scientific review articles › Research

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