Deduction of Physicochemical Properties from Solubilities: 2,4-Dihydroxybenzophenone, Biotin, and Caprolactam as Examples
作者： Michael H. Abraham , William E. Acree , Michela Brumfield , Erin Hart , Lila Pipersburgh
DOI: 10.1021/JE501140P
关键词:
摘要: Solubilities of 2,4-dihydroxybenzophenone have been measured at 298 K in 19 organic solvents. Combination with a known value the solubility water enables corresponding partition coefficients from to these solvents be deduced. It is shown that solubilities, via coefficients, can yield Abraham descriptors for 2,4-dihydroxybenzophenone, and these, turn, used estimate very large number further values biological environmental properties. This method extracting information solubilities illustrated using literature data on biotin caprolactam.
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sci-hub.se 参考文章(20)
Eric D. Clarke, Laura J. Mallon, The Determination of Abraham Descriptors and Their Application to Crop Protection Research Modern Methods in Crop Protection Research. pp. 273- 305 ,(2013) , 10.1002/9783527655908.CH11
Timothy W. Stephens, Michael H. Abraham, Helen Lu, William E. Acree, Kaci R. Bowen, Danyang Shan, Kalpana Satish, Experimental and Predicted Solubilities of 3,4-Dimethoxybenzoic Acid in Select Organic Solvents of Varying Polarity and Hydrogen-bonding Character European Chemical Bulletin. ,vol. 2, pp. 577- 583 ,(2013) , 10.17628/ECB.2013.2.577-583
Michael H. Abraham, William E. Acree, DESCRIPTORS FOR ARTEMISININ AND ITS DERIVATIVES; ESTIMATION OF PHYSICOCHEMICAL AND BIOCHEMICAL DATA European Chemical Bulletin. ,vol. 2, pp. 1027- 1037 ,(2013) , 10.17628/ECB.2013.2.1027-1037
Michael H. Abraham, Joelle M.R. Gola, Adam Ibrahim, William E. Acree, Xiangli Liu, A simple method for estimating in vitro air-tissue and in vivo blood-tissue partition coefficients Chemosphere. ,vol. 120, pp. 188- 191 ,(2015) , 10.1016/J.CHEMOSPHERE.2014.06.037
Cuili Guo, Lingjun Li, Jingyao Cheng, Jinli Zhang, Wei Li, None, Solubility of caprolactam in different organic solvents Fluid Phase Equilibria. ,vol. 319, pp. 9- 15 ,(2012) , 10.1016/J.FLUID.2011.12.004
M. H. Abraham, J. C. McGowan, The use of characteristic volumes to measure cavity terms in reversed phase liquid chromatography Chromatographia. ,vol. 23, pp. 243- 246 ,(1987) , 10.1007/BF02311772
Li-Li Lu, Xiu-Yang Lu, Solubilities of Polyhydroxybenzophenones in an Ethanol + Water Mixture from (293.15 to 343.15) K Journal of Chemical & Engineering Data. ,vol. 53, pp. 1996- 1998 ,(2008) , 10.1021/JE800388Y
Michael H. Abraham, William E. Acree, Prediction of gas to water partition coefficients from 273 to 373 K using predicted enthalpies and heat capacities of hydration Fluid Phase Equilibria. ,vol. 262, pp. 97- 110 ,(2007) , 10.1016/J.FLUID.2007.08.011
Michael H. Abraham, Adam Ibrahim, Andreas M. Zissimos, Determination of sets of solute descriptors from chromatographic measurements Journal of Chromatography A. ,vol. 1037, pp. 29- 47 ,(2004) , 10.1016/J.CHROMA.2003.12.004
Michael H. Abraham, Robert E. Smith, Ron Luchtefeld, Aaron J. Boorem, Rensheng Luo, William E. Acree, Prediction of solubility of drugs and other compounds in organic solvents Journal of Pharmaceutical Sciences. ,vol. 99, pp. 1500- 1515 ,(2010) , 10.1002/JPS.21922