The pK_a Values of PFOA and Other Highly Fluorinated Carboxylic Acids

KAI-UWE   GOSS

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The pK_a Values of PFOA and Other Highly Fluorinated Carboxylic Acids

机译：PFOA和其他高度氟化的羧酸的pK_a值

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The dissociated and nondissociated species of any organic acid differ largely in their physicochemical behavior. The ratio of both species in aqueous systems is determined by the respective pK_a value. For perfluorooctanoic acid recent fate-modeling studies have applied a pK_a value of 2.8. This value likely is too high by 3 log units. Here, the correct value is estimated to be close to -0.5 based on analogy considerations and molecular modeling. Calculated pK_a values for other highly fluorinated carboxylic acids are also presented.

机译：任何有机酸的离解和非离解种类在其物理化学行为上都存在很大差异。水性系统中两种物质的比例由各自的pK_a值确定。对于全氟辛酸，最近的命运建模研究已将pK_a值应用为2.8。该值可能太高（以3个日志单位为单位）。在此，基于类比考虑和分子模型，正确值估计接近-0.5。还列出了其他高度氟化的羧酸的pK_a计算值。

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《Environmental Science & Technology》 |2008年第2期|456-458|共页
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KAI-UWE GOSS;
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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
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1. Estimation of pK_a values for carboxylic acids, alcohols, phenols and amines using changes in the relative Gibbs free energy [J] . Zeng Y., Chen X., Zhao D., Fluid Phase Equilibria . 2012,第Null期

机译：使用相对吉布斯自由能的变化估算羧酸，醇，酚和胺的pK_a值
2. Computational approaches may underestimate pK_a values of longer-chain perfluorinated carboxylic acids: Implications for assessing environmental and biological effects [J] . SIERRA RAYNE, KAYA FOREST, KEN J. FRIESEN Journal of Environmental Science and Health . 2009,第4期

机译：计算方法可能会低估长链全氟化羧酸的pK_a值：对评估环境和生物影响的意义
3. Calculations of pK_a values of carboxylic acids in aqueous solution using density functional theory [J] . Mansoor Namazian, Sakineh Halvani The Journal of Chemical Thermodynamics . 2006,第12期

机译：使用密度泛函理论计算水溶液中羧酸的pK_a值
4. Comparison of Negative-Ion ESI Ionization Effciencies for a Diversity of Small Acidic Molecules with Widely Varying pK_a Values [C] . James M. Mattila, Shelsea A. Hurdle, Stephen K. Lucas, ASMS Conference on Mass Spectrometry and Allied Topics . 2015

机译：具有广泛改变PK_A值的小酸性分子多样性的负离子ESI电离效果的比较
5. Atmospheric chemistry and fate of highly-fluorinated carboxylic acids and alcohols [D] . Rontu Carlon, Nabilah Arshad 2008

机译：大气化学和高度氟化的羧酸和醇的命运
6. The use of fluorine-containing carboxylic acids for the large-scale isolation of highly polymerized deoxyribonucleic acids [O] . A. S. Jones, R. T. Walker 1966

机译：含氟羧酸在大规模分离高度聚合的脱氧核糖核酸中的用途
7. The pKaValues of PFOA and Other Highly Fluorinated Carboxylic Acids [O] . Kai-Uwe Goss 2008

机译：PFOA的PKAVALUE和其他高氟化羧酸
8. Perfluorooctanoic acid (PFOA): Fluorinated Telomers. [R] . 2005

机译：全氟辛酸（pFOa）：氟化调聚物。

The pK_a Values of PFOA and Other Highly Fluorinated Carboxylic Acids

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