Octanol-Water Partition Coefficient Measurement by a Simple 1H NMR Method
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In: ACS Omega, Vol. 2, No. 9, 30.09.2017, p. 6244-6249.
Research output: Journal contributions › Journal articles › Research › peer-review
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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 -