A new method for the determination of Henry's law constants (air-water-partition coefficients)

被引：22

作者：

Abraham, Michael H. ^{[1
]}

Acree, William E., Jr. ^{[2
]}

Hoekman, David ^{[3
]}

Leo, Albert J. ^{[3
]}

Medlin, Michael L. ^{[3
]}

机构：

[1] UCL, Dept Chem, 20 Gordon St, London WCIH OAJ, England

[2] Univ North Texas, Dept Chem, POB 305070, Denton, TX 76203 USA

[3] BioByte Corp, 201 W 4th St,204, Claremont, CA 91711 USA

来源：

FLUID PHASE EQUILIBRIA | 2019年 / 502卷

关键词：

Henry's law constants; Air-water partition coefficients; Water-solvent partition coefficients; Solubility; Abraham descriptors; Simultaneous equations; MODEL SOLUTE DESCRIPTORS; CRYSTALLINE NONELECTROLYTE SOLUTES; GROUP-CONTRIBUTION VALUES; CARBOXYLIC-ACID SOLUTES; AROMATIC-HYDROCARBONS PAHS; ORGANIC-SOLVENTS; MATHEMATICAL CORRELATION; THERMODYNAMIC FUNCTIONS; INFINITE DILUTION; 298.15; K;

D O I：

10.1016/j.fluid.2019.112300

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

We set out a method for the determination of Henry's Law constants or air-water-partition coefficients at 298.15 K that does not require a knowledge of either the vapor pressure or the aqueous solubility of a compound, but is derived from experimental solubilities in non-aqueous solvents, or from experimental water-solvent partition coefficients. The method is applicable to a wide range of compound, from volatile organic compounds to very hydrophobic compounds with low vapor pressures and low aqueous solubilities. Using equations that we have developed previously, our obtained air-water partition coefficients at 298.15 K can be corrected to any temperature between 273 K and 573 K. (C) 2019 Elsevier B.V. All rights reserved.

引用

页数：10

共 107 条

[1] Aqueous solubility (in the range between 298.15 and 338.15 K), vapor pressures (in the range between 10-5 and 80 Pa) and Henry's law constant of 1,2,3,4-dibenzanthracene and 1,2,5,6-dibenzanthracene [J].

Abou-Naccoul, Ramy ;

Mokbel, Ilham ;

Bassil, Georgio ;

Saab, Joseph ;

Stephan, Khaled ;

Jose, Jacques .

CHEMOSPHERE, 2014, 95 :41-49

[2] SCALES OF SOLUTE HYDROGEN-BONDING - THEIR CONSTRUCTION AND APPLICATION TO PHYSICOCHEMICAL AND BIOCHEMICAL PROCESSES [J].

ABRAHAM, MH .

CHEMICAL SOCIETY REVIEWS, 1993, 22 (02) :73-83

[3] THE USE OF CHARACTERISTIC VOLUMES TO MEASURE CAVITY TERMS IN REVERSED PHASE LIQUID-CHROMATOGRAPHY [J].

ABRAHAM, MH ;

MCGOWAN, JC .

CHROMATOGRAPHIA, 1987, 23 (04) :243-246

[4] Determination of sets of solute descriptors from chromatographic measurements [J].

Abraham, MH ;

Ibrahim, A ;

Zissimos, AM .

JOURNAL OF CHROMATOGRAPHY A, 2004, 1037 (1-2) :29-47

[5] Descriptors for solutes from the solubility of solids: trans-stilbene as an example [J].

Abraham, MH ;

Green, CE ;

Acree, WE ;

Hernandez, CE ;

Roy, LE .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1998, (12) :2677-2681

[6] Prediction of gas to water partition coefficients from 273 to 373 K using predicted enthalpies and heat capacities of hydration [J].

Abraham, Michael H. ;

Acree, William E., Jr. .

FLUID PHASE EQUILIBRIA, 2007, 262 (1-2) :97-110

[7] Determination of molar refractions and Abraham descriptors for tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III) [J].

Abraham, Michael H. ;

Acree, William E., Jr. ;

Fucaloro, Anthony F. ;

Zanella, Andrew W. .

NEW JOURNAL OF CHEMISTRY, 2017, 41 (23) :14259-14265

[8] Gas-solvent and water-solvent partition of trans-stilbene at 298 K [J].

Abraham, Michael H. ;

Acree, William E., Jr. .

JOURNAL OF MOLECULAR LIQUIDS, 2017, 238 :58-61

[9] Descriptors for ferrocene and some substituted ferrocenes [J].

Abraham, Michael H. ;

Acree, William E., Jr. .

JOURNAL OF MOLECULAR LIQUIDS, 2017, 232 :325-331

[10] Solvation descriptors for porphyrins (porphines) [J].

Abraham, Michael H. ;

Acree, William E., Jr. .

NEW JOURNAL OF CHEMISTRY, 2016, 40 (12) :9945-9950

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