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Estimation of Gibbs free energies of formation for polychlorinated biphenyls

Lookup NU author(s): Dr Jan DolfingORCiD


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Gibbs free energies of formation for gas, subcooled liquid, and aqueous solution phases were estimated for all 209 polychlorinated biphenyl (PCB) congeners at 298.15 K and 100 000 Pa. A literature search was conducted to locate experimental data or predicted data for PCBs. Where other data were not available, the standard-state enthalpies of formation of the gas and absolute standard-state entropies of the gas were estimated using the NIST Structures and Properties Database and Estimation Program based on Benson's group additivity method. Resultant Gibbs free energies of formation in aqueous solution, as well as all intermediate quantities used in their calculation, are tabulated. Implications of the data relative to dechlorination are briefly discussed.

Publication metadata

Author(s): Holmes DA, Harrison BK, Dolfing J

Publication type: Article

Publication status: Published

Journal: Environmental Science & Technology

Year: 1993

Volume: 27

Issue: 4

Pages: 725-731

Print publication date: 01/04/1993

ISSN (print): 0013-936X

ISSN (electronic): 1520-5851

Publisher: American Chemical Society


DOI: 10.1021/es00041a017

Notes: Times Cited: 22 Cited Reference Count: 32 English Article ENVIRON SCI TECHNOL KU952


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