Solubility Energy Relationship

Linear Energy Solubility Relationships (LSERs) are useful in the design of selective layers for mass and optical gas sensors. 

Imagine that a polymer has been fully characterized and its free energy contribution coefficients for individual vapors A and B have been evaluated according to the LSER equation. If the polymer is fully saturated with vapor A, do you expect the coefficients for vapor B to be the same as for the polymer in the absence of vapor A Would the evaluation of the retention times for A and B on a GC column packed with the same polymer offer any help in such a case  

Contrast the difference in interaction of the mixture of vapors with the solid phase used in a gas chromatographic experiment and in a direct sensing application. 

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A quantitative treatment of surfactant solubility has been successfully made empirically using linear free energy relationships. An important relation is that for the linear free energy of transfer of alkanes to water [23] ... 

Two approaches to quantify/fQ, i.e., to establish a quantitative relationship between the structural features of a compoimd and its properties, are described in this section quantitative structure-property relationships (QSPR) and linear free energy relationships (LFER) cf. Section 3.4.2.2). The LFER approach is important for historical reasons because it contributed the first attempt to predict the property of a compound from an analysis of its structure. LFERs can be established only for congeneric series of compounds, i.e., sets of compounds that share the same skeleton and only have variations in the substituents attached to this skeleton. As examples of a QSPR approach, currently available methods for the prediction of the octanol/water partition coefficient, log P, and of aqueous solubility, log S, of organic compoimds are described in Section 10.1.4 and Section 10.15, respectively. 

Yang G, Ran Y and Yalkowsky SH. Prediction of the aqueous solubility comparison of the general solubility equation and the method using an amended solvation energy relationship. J Pharm Sci 2002 91 517-33. 

An amended solvation energy relationship was used for correlation of solubility of compounds in water [61] ... 

Hansch, C., Quinlan, J. E., Lawrence, G. L. The linear free-energy relationship between partition coefficients and the aqueous solubility of organic liquids. 

Abraham, M. H., Le, J. The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship. ]. Pharm. Sci. 1999, 88, 868-880. 

Kamlet, M. J., Doherty, R. M., Abboud, J. L., Abraham, M. H., Taet, R. W., Linear solvation energy relationships 36. Molecular properties governing solubilities of organic nonelectrolytes in water, J. Pharm. Sci. 1986, 75, 338-349. 

Leahy, D. E. (1986) Intrinsic molecular volume as a measure of the cavity term in linear solvation energy relationships octanol-water partition coefficients and aqueous solubilities. J. Pharm. Sci. 75, 629-636. 

Kamlet, M.J., Doherty, R.M., Carr, P.W., Mackay, D., Abraham, M.H., Taft, R.W. (1988) Linear solvation energy relationships. 44. Parameter estimation rules that allow accurate prediction of octanol/water partition coefficients and other solubility and toxicity properties of polychlorinated biphenyls and polycyclic aromatic hydrocarbons. Environ. Sci. Technol. 22, 503-509. 

K generally varies only by factors of three to five for a given solute (12). K typically correlates well with physico-chemical properties of the sorbate, such as aqueous solubility (S) or the octanol-water partition coefficient (K ), again suggesting that hydrophobic interaction predominates. The correlation of Koc with K has led to the definition of linear free-energy relationships (LFER) of the form... 

Kamlet, M. J., et al Linear Solvation Energy Relationships 36. Molecular Properties Governing Solubilities of Organic Nonelectrolytes in Water. J. Pharma. Sci., 1986 75, 338-349. 

Leahy, D. E., Intrinsic Molecular Volume as a Measure of the Cavity Term in linear Solvation Energy Relationships Octanol-Water Partition Coefficients and Aqueous Solubilities. J. Pharrn. Sci., 1986 75, 629-636. 

Since solvatochromic parameters are derived from direct measurements of the energy resulting from intermolecular interaction, they can be used to predict solubility, which is determined by solute-solute, solvent-solvent, and solute-solvent interaction energies. For nonself-associated liquid aliphatic compounds with a weak or nonhydrogen-bond donor (Taft etal., 1985 Kamlet etal., 1986), the solubility in water at 29S was related to molar volunWjf, hydrogen-bond basicity j and polarity/polarizability (jf) by a linear solvation energy relationship (LSER) as in Equation 3.55 ... 

Kamlet, M. J., R. M. Doherty, M. H. Abraham, P. W. Carr, R. F. Doherty, and R. W. Taft. 1987. Linear solvation energy relationships. 41. Important differences between aqueous solubility relationships for aliphatic and aromatic soluted. Phys. Cherr01 1996-2004. 

Hansch, C., J.E. Quinlan, and G.L. Lawrence. 1968. The Linear Free Energy Relationships Between Partition Coefficients and the Aqueous Solubility of Organic Liquids. J. Org. Chem. 33 347-350. 

Kamlet, M.J., R.M. Doherty, P.W. Carr, D. Mackay, M.H. Abraham, and R.W. Taft. 1988. Linear Solvation Energy Relationships. 44. Parameter Estimation Rules which Allow Accurate Prediction of Octanol/Water Partition Coefficients and other Solubility and Toxicity Properties of Polychlorinated Biphenyls and Polycyclic Aromatic Hydrocarbons. Environ. Sci. Technol. 22 503-509. 

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