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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…
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Keywords:
water;
partition coefficient;
water partition;
octanol water ... See more keywords
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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…
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Keywords:
water partition;
index based;
octanol water;
norm index ... See more keywords
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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…
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Keywords:
octanol air;
octanol water;
partition;
partition coefficients ... See more keywords
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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…
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Keywords:
water partition;
octanol water;
water;
method ... See more keywords