PMID- 16214201
OWN - NLM
STAT- MEDLINE
DCOM- 20060612
LR  - 20161124
IS  - 0045-6535 (Print)
IS  - 0045-6535 (Linking)
VI  - 62
IP  - 11
DP  - 2006 Mar
TI  - Prediction of environmental partition coefficients and the Henry's law constants 
      for 135 congeners of chlorodibenzothiophene.
PG  - 1817-28
AB  - Polychlorinated dibenzothiophenes (PCDTs) could be classified as persistent 
      organic pollutants (POPs) in the environment and are particularly interesting due 
      to their structural resemblance to highly toxic dioxins. We show here some basic 
      environmental properties such as n-octanol water (K(OW)), n-octanol/air (K(OA)) 
      and air/water (K(AW)) partition coefficients as well as Henry's law constants 
      (K(H)) for all 135 congeners of chlorodibenzothiophene. Predictions were made by 
      regression of principal components (PCR) and with aid of a set of standard 
      chemicals, for which physical-chemical properties are well featured. Computed 
      K(OW), K(OA), K(AW) and K(H) values for mono-CDTs ranged, respectively, between 
      4.66 and 4.71, 7.48 and 7.55, -2.84 and -2.82, 3.56 and 3.74; for di-CDTs between 
      5.02 and 5.28, 8.03 and 8.29, -3.01 and -2.95, 2.42 and 2.75; for tri-CDTs 
      between 5.53 and 5.70, 8.65 and 8.87, -3.2 and -3.11, 1.58 and 1.92; for 
      tetra-CDTs between 5.95 and 6.13, 9.27 and 9.50, -3.39 and -3.27, 1.02 and 1.33; 
      for penta-CDTs between 6.38 and 6.51, 9.88 and 10.05, -3.54 and -3.45, 0.72 and 
      0.88; for hexa-CDTs between 6.83 and 6.97, 10.54 and 10.66, -3.72 and -3.64, 0.47 
      and 0.56; for hepta-CDTs between 7.28 and 7.35, 11.12 and 11.20, -3.81 and -3.87, 
      0.33 and 0.38; for octa-CDT 7.74, 11.78, -4.04 and 0.23. An estimated value of 
      the three types of partition coefficient and Henry's law constants suggest that 
      polychlorinated dibenzothiophenes are lipophilic and semi-volatile persistent 
      organic pollutants. Their mobility in the environment seems to be very similar to 
      that of some well-known POPs such as polychlorinated dibenzofurans, 
      -dibenzo-p-dioxins, and -biphenyls or organochlorine pesticides.
FAU - Puzyn, Tomasz
AU  - Puzyn T
AD  - Department of Environmental Chemistry and Ecotoxicology, University of Gdansk, 18 
      Sobieskiego Street, PL 80-952 Gdansk, Poland.
FAU - Rostkowski, Pawel
AU  - Rostkowski P
FAU - Swieczkowski, Artur
AU  - Swieczkowski A
FAU - Jedrusiak, Aneta
AU  - Jedrusiak A
FAU - Falandysz, Jerzy
AU  - Falandysz J
LA  - eng
PT  - Journal Article
DEP - 20051007
PL  - England
TA  - Chemosphere
JT  - Chemosphere
JID - 0320657
RN  - 0 (Environmental Pollutants)
RN  - 0 (Hydrocarbons, Chlorinated)
RN  - 0 (Thiophenes)
SB  - IM
MH  - Chemical Phenomena
MH  - Chemistry, Physical
MH  - Environmental Pollutants/*analysis
MH  - Hydrocarbons, Chlorinated/*chemistry
MH  - *Models, Chemical
MH  - Predictive Value of Tests
MH  - Thiophenes/*chemistry
EDAT- 2005/10/11 09:00
MHDA- 2006/06/13 09:00
CRDT- 2005/10/11 09:00
PHST- 2004/09/02 00:00 [received]
PHST- 2005/05/31 00:00 [revised]
PHST- 2005/07/09 00:00 [accepted]
PHST- 2005/10/11 09:00 [pubmed]
PHST- 2006/06/13 09:00 [medline]
PHST- 2005/10/11 09:00 [entrez]
AID - S0045-6535(05)00929-X [pii]
AID - 10.1016/j.chemosphere.2005.07.055 [doi]
PST - ppublish
SO  - Chemosphere. 2006 Mar;62(11):1817-28. doi: 10.1016/j.chemosphere.2005.07.055. 
      Epub 2005 Oct 7.