Articles with "octanol water" as a keyword



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Repeatability of n-octanol/water partition coefficient values between liquid chromatography measurement methods

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Published in 2018 at "Environmental Science and Pollution Research"

DOI: 10.1007/s11356-018-1729-4

Abstract: The n-octanol/water partition coefficient (KOW) is a physical/chemical property that is extensively used for regulatory and environmental risk and exposure assessments. The KOW value can estimate various chemical properties such as water solubility, bioavailability, and… read more here.

Keywords: water; partition coefficient; water partition; octanol water ... See more keywords
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Norm index-based QSPR model for describing the n-octanol/water partition coefficients of organics

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Published in 2020 at "Environmental Science and Pollution Research"

DOI: 10.1007/s11356-020-08020-y

Abstract: The n-octanol/water partition coefficient (logKow) is widely used in the environmental, agricultural and pharmaceutical fields for the risk evaluation and application of organic chemicals. In this work, grounded on atomic distribution matrices, a norm index-based… read more here.

Keywords: water partition; index based; octanol water; norm index ... See more keywords

Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air

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Published in 2019 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.9b00212

Abstract: Partition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational… read more here.

Keywords: octanol air; octanol water; partition; partition coefficients ... See more keywords
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Octanol–Water Partition Coefficient Measurement by a Simple 1H NMR Method

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Published in 2017 at "ACS Omega"

DOI: 10.1021/acsomega.7b01102

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… read more here.

Keywords: water partition; octanol water; water; method ... See more keywords