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Physical-Chemical Property Data for Dibenzo-p-dioxin (DD), Dibenzofuran (DF), and Chlorinated DD/Fs: A Critical Review and Recommended Values
Umeå University, Faculty of Science and Technology, Chemistry.
Umeå University, Faculty of Science and Technology, Chemistry.
2008 (English)In: Journal of Physical and Chemical Reference Data, ISSN 0047-2689, Vol. 37, no 4, 1997-2008 p.Article in journal (Refereed) Published
Abstract [en]

Polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) are of global concern due to their persistence, their tendency to bioaccumulate, and their extremely high toxicity. The fate of the PCDD/Fs in the environment is largely determined by their physical-chemical properties, such as solubility in water (SW, mol  m-3), solubility in octanol (SO, mol  m-3), and vapor pressure (P, Pa). It is not unusual that the range of reported values for a given property varies over several orders of magnitude, especially for the highly chlorinated congeners, and consequently, it is a challenge to select physical-chemical property data from the literature for use in chemical fate and risk assessments. In the current study, physical-chemical property data [P, SW, SO, Henry's law constant (H), partitioning coefficients between octanol-water (KOW) and octanol-air (KOA)] for 15 DDs and 17 DFs at 293-299  K are compiled from the literature and evaluated to select literature derived values that are then adjusted to conform to thermodynamic constraints using a least-squares adjustment procedure. We also present an analysis of available data on internal energies of phase change (UA, UW, UO, UOW, UAW, UOA) at 298  K, which describe the temperature dependence of the partitioning properties. The final adjusted values (FAVs) derived from this study are recommended as physical-chemical property data for PCDD/Fs for use in environmental fate modeling. The FAVs for internal energies of phase change can be used as a first approximation for estimating properties at temperatures other than 298  K.

Place, publisher, year, edition, pages
2008. Vol. 37, no 4, 1997-2008 p.
Keyword [en]
aqueous solubility, Henry's law constant, internal energy of phase change, octanol solubility, octanol-air partition coefficient, octanol-water partition coefficient, PCDD/F, physical-chemical properties, polychlorinated dibenzofurans, polychlorinated dibenzo-p-dioxins, vapor pressure
URN: urn:nbn:se:umu:diva-18994DOI: 10.1063/1.3005673OAI: diva2:201122
Available from: 2009-03-03 Created: 2009-03-03 Last updated: 2010-02-09
In thesis
1. Fate and exposure assessment of PCDD/Fs at contaminated sites
Open this publication in new window or tab >>Fate and exposure assessment of PCDD/Fs at contaminated sites
2008 (English)Licentiate thesis, comprehensive summary (Other academic)
Abstract [en]

Polychlorinated dibenzo-p-dioxins (PCDD) and polychlorinated dibenzo-furans (PCDFs) belong to the most toxic compounds known to science and they are defined as Persistent Organic Pollutants (POPs) under the Stock-holm Convention. The general human exposure to PCDD/Fs is primarily through dietary intake. The importance of contaminated sites as secondary PCDD/F sources (i.e. sources that once received its contamination from a primary source) are getting increased attention. To be able to assess the risks for human exposure at PCDD/F contaminated sites, the environmen-tal distribution of PCDD/Fs and the potential mobilization between dif-ferent environmental media (e.g. food chain transfer) must be known. The primary aim of the work presented in this thesis was to investigate human exposure pathways associated with PCDD/F contaminated sites by combining field measurements and modeling. Site specific field measurements were made at a PCDD/F contaminated site in Sweden and multimedia modeling scenarios were evaluated against site specific data and national reference data.

The results show that the congener distributions in exposure media affected by contaminated soil may differ significantly from the distribu-tions found in media from reference locations. Higher chlorinated PCDD/Fs may be transferred into food chains where they contribute to a large fraction of the toxic equivalent concentration (TEQ). Ingestion of locally produced animal food may be an important exposure pathway al-ready at low or moderate PCDD/F soil concentrations. However, the con-gener composition of the source is critical for the exposure. The signifi-cance of the individual exposure routes varies depending on e.g. the spatial distribution and magnitude of the soil contamination, the pro-perties of the exposure media and the human behavior. Multimedia mo-deling can be used in risk assessments as long as model algorithms and model parameters are representative for the superhydrophobic properties of PCDD/Fs. However, selection of physical-chemical PCDD/F properties is a challenge due to large variation in reported values. For some proper-ties, data is scattered or completely lacking

Place, publisher, year, edition, pages
Umeå: Kemi, 2008. 44 p.
contaminated sites, dioxins, PCDD/F, exposure, food chain, modeling, risk assessment, physical-chemical properties, förorenade områden, dioxiner, PCDD/F, exponering, födokedja, modellering, riskbedömning, fysikaliska-kemiska egenskaper
National Category
Environmental Sciences
urn:nbn:se:umu:diva-5717 (URN)978-91-7264-660-5 (ISBN)
Available from: 2009-03-25 Created: 2009-03-25 Last updated: 2009-03-25Bibliographically approved

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