Publication Details |
| Category | Text Publication |
| Reference Category | Journals |
| DOI | 10.1016/j.chemosphere.2005.12.049 |
| Title (Primary) | Prediction of the temperature dependency of Henry's law constant using poly-parameter linear free energy relationships |
| Author | Goss, K.U. |
| Source Titel | Chemosphere |
| Year | 2006 |
| Department | AUC |
| Volume | 64 |
| Issue | 8 |
| Page From | 1369 |
| Page To | 1374 |
| Language | englisch |
| Keywords | air/water partitioning; enthalpy; LSER; pp-LFER; fate modeling |
| Abstract | The ability to predict the temperature dependence of air/water partitioning is important for the environmental fate modeling of organic pollutants. Here, literature data for the temperature dependence of air/water partitioning of some 200 compounds have been used to derive poly-parameter linear free energy relationships (pp-LFER) for predicting air/water partition coefficients at temperatures between 0 and 45 degrees C. The compounds used for calibrating the pp-LFERs span a range of almost 10 orders of magnitude in the partition constants and they cover a large variety of functional groups. Very good fits (r(2) > 0.99) were obtained at all temperatures. Hence, these pp-LFERs should serve as a valuable tool for integrating the temperature dependence of air/water partitioning into fate modeling of organic compounds. In the environment one will quite often encounter a situation where water and air do not have the same temperatures. This situation is shortly discussed in the appendix. |
| Persistent UFZ Identifier | https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=2642 |
| Goss, K.U. (2006): Prediction of the temperature dependency of Henry's law constant using poly-parameter linear free energy relationships Chemosphere 64 (8), 1369 - 1374 10.1016/j.chemosphere.2005.12.049 |
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