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Open Access Green möglich sobald Postprint bei der ZB eingereicht worden ist.
Henry's law constants for a diverse set of organic chemicals: Experimental determination and comparison of estimation methods.
Chemosphere 39, 1871-1887 (1999)
The Henry's law constant (HLC) or air/water partition coefficient is a key property in the process of describing a chemical's environmental fate. Compared to its significance, experimentally determined HLCs are known for a relatively small number of organic chemicals. We have measured HLCs for seven groups of compounds, i. e., aromatic hydrocarbons, aromatic nitro compounds, anilines, phenols, organochlorine pesticides, aliphatic alcohols, and aliphatic amines, using a thermodynamic method for the vast majority of compounds. These new data have been used to validate and compare existing estimation methods for HLCs, namely the vapor pressure / aqueous solubility ratio, the improved bond contribution method, and the group method. The improved bond contribution method, which can be applied to all compounds, turned out to produce the most reliable results. The vapor pressure / aqueous solubility approach gave slightly worse estimations whereas the group method was considerably worse. Shortcomings of the individual methods were discussed. E. g., the bond contribution method had a bad performance for the organochlorine pesticides.
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Publikationstyp
Artikel: Journalartikel
Dokumenttyp
Wissenschaftlicher Artikel
Schlagwörter
Henry's law constants air/water parition coefficients estimation methods validation
ISSN (print) / ISBN
0045-6535
e-ISSN
1879-1298
Zeitschrift
Chemosphere
Quellenangaben
Band: 39,
Heft: 11,
Seiten: 1871-1887
Verlag
Elsevier
Verlagsort
Kidlington, Oxford
Nichtpatentliteratur
Publikationen
Begutachtungsstatus
Peer reviewed
Institut(e)
Institute of Biomathematics and Biometry (IBB)