https://www.biosyn.com/Images/ArticleImages/pdf/A%20simple.pdf

A simple method for displaying the hydropathic character of a protein

 Many atmospheric chemicals occur in the gas phase as well as in liquid cloud droplets and aerosol particles Therefore, it is necessary to understand the distribution between the phases According to Henry's law, the equilibrium ratio between the abundances in the gas phase and in the aqueous phase is constant for a dilute solution Henry's law constants of trace gases of potential importance in environmental chemistry have been collected and converted into a uniform format The compilation contains 17 350 values of Henry's law constants for 4632 species, collected from 689 references It is also available at http://wwwhenrys-laworg 

/pdf/compilation-of-henry-s-law-constants-version-4-0-for-water-58il9q0ogv.pdf

Compilation of Henry's law constants (version 4.0) for water as solvent

Although organic compounds typically constitute a substantial fraction of the fine particulate matter (PM) in the atmosphere, their molecular composition remains poorly characterized. This is largely because atmospheric particles contain a myriad of diverse organic compounds, not all of which extract in a single solvent or elute through a gas chromatograph; therefore, a substantial portion typically remains unanalyzed. Most often the chemical analysis is performed on a fraction that extracts in organic solvents such as benzene, ether or hexane; consequently, information on the molecular composition of the water-soluble fraction is particularly sparse and incomplete. This paper investigates theoretically the characteristics of the water-soluble fraction by splicing together various strands of information from the literature. We identify specific compounds that are likely to contribute to the water-soluble fraction by juxtaposing observations regarding the extraction characteristics and the molecular composition of atmospheric particulate organics with compound-specific solubility and condensibility for a wide variety of organics. The results show that water-soluble organics, which constitute a substantial fraction of the total organic mass, include C2 to C7 multifunctional compounds (e.g., diacids, polyols, amino acids). The importance of diacids is already recognized; our results provide an impetus for new experiments to establish the atmospheric concentrations and sources of polyols, amino acids and other oxygenated multifunctional compounds.

Water-soluble organics in atmospheric particles: A critical review of the literature and application of thermodynamics to identify candidate compounds

The thermodynamic properties ΔG
 h
 
o,ΔH
 h
 
o, and ΔC
 p,h
 
oassociated with the transfer of non-ionic organic compounds from gas to dilute aqueous solution and the limiting partial molar properties C
 p
 o
 ,2 and V2
2 of these compounds in water are described through a simple scheme of group contributions. A distinction is made between groups made only of carbon and hydrogen, and functional groups i.e. groups containing at least one atom different from carbon and hydrogen. Each group is assigned a contribution, for each property, through a least squares procedure which utilizes only molecules containing at most one functional group. Finally, for compounds containing more than one functional group, correction parameters are evaluated as the differences between the experimental values and those calculated by means of the group contributions. The different behavior of hydrophilic compared with hydrophobic groups is discussed for the various properties. A rationale for the correction parameters, i.e. for the effects of the interactions among hydrophilic groups on the thermodynamic properties, is attempted.

Group contributions to the thermodynamic properties of non-ionic organic solutes in dilute aqueous solution

The pairwise descreening approximation provides a rapid computational algorithm for the evaluation of solute shape effects on electrostatic contributions to solvation energies. In this article we show that solvation models based on this algorithm are useful for predicting free energies of solvation across a wide range of solute functionalities, and we present six new general parametrizations of aqueous free energies of solvation based on this approach. The first new model is based on SM2-type atomic surface tensions, the AM1 model for the solute, and Mulliken charges. The next two new models are based on SM5-type surface tensions, either the AM1 or the PM3 model for the solute, and Mulliken charges. The final three models are based on SM5-type atomic surface tensions and are parametrized using the AM1 or the PM3 model for the solute and CM1 charges. The parametrizations are based on experimental data for a set of 219 neutral solute molecules containing a wide range of organic functional groups and the ato...

Parametrized Models of Aqueous Free Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium

Structural effects on rates and equilibriums. XIX. Intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions

Electrocyclic effects in solvolysis. I. Aryl participation and cyclopropyl ring opening in the solvolysis of exo-3,3-diaryltricyclo[3.2.1. 0.2,4]oct-8-yl tosylates

Pradip K. Mookerjee

Papers

Structural effects on rates and equilibriums. XIX. Intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions

Electrocyclic effects in solvolysis. I. Aryl participation and cyclopropyl ring opening in the solvolysis of exo-3,3-diaryltricyclo[3.2.1. 0.2,4]oct-8-yl tosylates