Thermochemical properties and relative stability of polychlorinated biphenyls

被引：17

作者：

Bures, Michal ^{[2
]}

Pekarek, Vladimir ^{[1
]}

Ocelka, Tomas ^{[3
]}

机构：

[1] Acad Sci Czech Republic, Inst Chem Proc Fundamentals, CZ-16502 Prague, Czech Republic

[2] Inst Chem Technol, Dept Phys Chem, CZ-16628 Prague, Czech Republic

[3] Inst Publ Hlth, Natl Ref Lab Anal POPS, CZ-70200 Ostrava, Czech Republic

来源：

ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY | 2008年 / 25卷 / 02期

关键词：

PCB; dihedral angle; thermodynamics; toxicology;

D O I：

10.1016/j.etap.2007.10.010

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

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. (C) 2007 Elsevier B.V. All rights reserved.

引用

页码：148 / 155

页数：8

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