Environmentally Relevant Properties of All 209 Polychlorinated Biphenyl Congeners for Modeling Their Fate in Different Natural and Climatic Conditions

Abstract

The temperature dependence of physical properties and degradation lifetimes in the environment of all polychlorinated biphenyl (PCB) congeners (N ) 209) were determined. For physical properties, the coefficients A and B in equations log(property) ) A(property) -B(property)/T(K) were determined by thermodynamic and QSPR methods and compared with the results of independent methods in the literature. The coefficients Apl and Bpl for liquid state vapor pressure P L , As and Bs for solubility in water S W , Ah and Bh for volatility k H (or k H ) P L /S W ), and Aow and Bow for lipophilicity (K OW ), stored in the database of the fate model program, allowed automatic temperature corrections for realistic fate and exposure modeling at variable environmental conditions. Half-lives HL(i) for degradation in compartments air (i ) 1), water (2), soil/ plants (3), and sediment (4) were determined by combination of the photolysis and biodegradation rates (from the literature) at one reference temperature (mostly 25°C). Examples of validation procedures for both physical properties and degradation rates were given. Temperature dependences were possible to compare with sufficient independent PCB sets only for vapor pressure. Other property sets could be compared statistically at 25°C only. Field observations gave opportunities to validate estimated properties indirectly, e.g., with fate modeling and kinetics. Such a case was presented about the role of mono-ortho hexa-CB congeners 156, 157, and 167 as precursors in the formation of toxic CB126, the most potent observed factor to yolk sac mortality (YSM) from 1988 to 1992 of the fry of Simojoki River salmon (N ) 40).

Evaluation of the three‐phase equilibrium method for measuring temperature dependence of internally consistent partition coefficients (KOW, KOA, and KAW) for volatile methylsiloxanes and trimethylsilanol

“…Comparison of the changes in enthalpies (Δ H OW ) and entropies (Δ S OW ) of octanol‐to‐water partitioning for volatile methylsiloxanes (VMS) and trimethylsilanol (TMS) with those for other environmental contaminants such as benzoates and phthalates in lipids/water partitioning from Kwon et al , sulfonamides from Zhang et al , phenolic compounds (phenols) from Noubigh et al , chlorinated benzenes (CBs) from Finzio and Di Guardo and Bahadur et al , and polychlorinated biphenyls (PCBs) from Paasivirta and Sinkonnen . The dashed line represents the linear regression line for 5 VMS.…”

Comparison Between Soil Half–Life of PBDEs in Soils that have Received Biosolids Application

“…We estimated PBDE soil half-life based of existing data for chlorinated organic pollutants. For lower brominated congeners, i.e., BDE-47 and BDE-99, we used as reference one polychlorinated biphenyl (PCB): PCB-138, which has similar log K ow values as BDE-47 and BDE-99 (Braekevelt et al, 2003;Paasivirta and Sinkkonen, 2009). Based on two studies (Paasivirta and Sinkkonen, 2009;Sinkkonen and Paasivirta, 2000), we assumed a half-life for BDE-47 and BDE-99 of 12.7 years, or 4650 days.…”

“…For lower brominated congeners, i.e., BDE-47 and BDE-99, we used as reference one polychlorinated biphenyl (PCB): PCB-138, which has similar log K ow values as BDE-47 and BDE-99 (Braekevelt et al, 2003;Paasivirta and Sinkkonen, 2009). Based on two studies (Paasivirta and Sinkkonen, 2009;Sinkkonen and Paasivirta, 2000), we assumed a half-life for BDE-47 and BDE-99 of 12.7 years, or 4650 days. Because BDE-209 is much heavier and more hydrophobic than the lower brominated congeners, we used both PCB-209 and PCB-180 as reference chemicals, which represent a higher level of hydrophocity.…”

“…Because BDE-209 is much heavier and more hydrophobic than the lower brominated congeners, we used both PCB-209 and PCB-180 as reference chemicals, which represent a higher level of hydrophocity. Based on three studies (Paasivirta and Sinkkonen, 2009;Sinkkonen and Paasivirta, 2000;Ayris and Harrad, 1999) we assumed a half-life for BDE-209 of 10230 days or approximately 28 years.…”

Organochlorine Pesticides and Polychlorinated Biphenyls in Atmospheric Particles Collected in Zagreb, Croatia

“…[3][4][5][6] The distribution and fate of organochlorine micropollutants in the biosphere depend on a compound's physico-chemical properties as well as on the characteristics of the environment. 7 As highly hydrophobic compounds, OC pesticides and PCBs strongly bind to soil/sediment particles 8 which become secondary sources of water, air, and plants pollution and animal and human exposure. An assessment of air-soil exchange of PCBs and OC pesticides across Central and Southern Europe was found to be site-specific and dependent on the physico-chemical properties of specific contaminants, soil properties, historical contamination record and the site's vicinity to sources, and local meteorological conditions.…”