Thermochemical properties and relative stability of polychlorinated biphenyls
Status PubMed-not-MEDLINE Language English Country Netherlands Media print-electronic
Document type Journal Article
PubMed
21783851
DOI
10.1016/j.etap.2007.10.010
PII: S1382-6689(07)00155-X
Knihovny.cz E-resources
- Publication type
- Journal Article MeSH
The values of thermochemical quantities (enthalpy and Gibbs energy of formation, entropy and molar heat capacity) in the ideal gas state and dihedral angles for all 209 polychlorinated biphenyls were obtained by the Benson contribution method and ab initio calculations. The di-, tri- and tetra-ortho-chlorinated biphenyls are related with properties of WHO non-ortho- and mono-ortho-biphenyls in connection with their potential human toxicities.
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