Vapour pressures, aqueous solubilities, Henry's law constants, partition coefficients between gas/water (Kgw), N-octanol/water (Kow) and gas/N-octanol (Kgo) of 106 polychlorinated diphenyl ethers (PCDE)

Effects of humic acids and microorganisms on decabromodiphenyl ether, 4,4′-dibromodiphenyl ether and anthracene transportation in soil

“…Less than 5% was found in filtrates (X6, ≤ 0.22 m) (HC1-2, HC2-2, HC3-2 vs. HC1-3, HC2-3, HC3-3, as shown in Figure 2 [28,29], which suggested that BDE-209, BDE-15 and anthracene in filtrates were mostly adsorbed on soil colloids (X5, 0.22-1 m). Therefore, these HA-complexed soil colloids (X5, 0.22-1 m) may have substantial effects on the hydrophobic partition of BDE-209, BDE-15 and anthracene due to the increasing hydrophobic surface area and the total organic carbon offered by HA as well as their high values of logK OC (logK OC BDE-209 >10, logK OC BDE-15 > 5, and log K OC anthracene > 4) [28,[30][31][32][33].…”

“…This was mainly because the molecular structure of BDE-209 and BDE-15 was the same (diphenyl ether) except for different numbers of the Br atom, in contrast with the molecular structure of anthracene [1,4,8], with the value of logK OC BDE-15 or log-K OC anthracene much lower than that of logK OC BDE-209 ( Figure 2 and Figure 3) [29][30][31][32].…”

Formation of polychlorinated diphenyl ethers from condensation of chlorophenols with chlorobenzenes

“…These compounds are transformed by irradiation or pyrolysis with a dehydrogenation or dehydrochlorination step into PCDFs (Norström et al 1977, Lindahl et al 1980. Recently, there are some reports on the physicochemical properties of PCDEs such as vapor pressures (P L ), partition coefficients (K ow ), aqueous solubilities (S W,L ) and Henry's law constants (Öberg 2002, 2003, Kurz et al 1999, Yang et al 2003. The toxic effects and human exposure to PCDEs were studied (Bocio et al 2004, Domingo 2006, Falcó et al 2005.…”

Modeling the overall persistence and environmental mobility of sulfur-containing polychlorinated organic compounds

“…We have exclusively selected data based on liquid-or gas-chromatography experiments performed at 25°C (Puzyn et al 2008a). The input database for log K OW consisted of 216 molecules (Mackay et al 2007;Kurz and Ballschmiter 1999;Hansch et al 1995;Opperhuizen et al 1985), whereas for log K OA of 100 ones (Kurz and Ballschmiter 1999;Harner et al 2000;Wania et al 2002;Kömp and McLachlan 1997;Abraham et al 2001;Su et al 2002;Harner and Bidleman 1998). As far as the experimental values of log K AW were unavailable, we developed individual QSPR models for log K OW and log K OA only.…”