Publication:

Estimation of Gibbs free energies of formation for polychlorinated biphenyls (1993)

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

  • : Estimation of Gibbs Free-Energies of Formation for Polychlorinated-Biphenyls

Abstract: 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.

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

  • Short Title: Estimation of Gibbs Free-Energies of Formation for Polychlorinated-Biphenyls
  • Alternate Journal: Environ. Sci. Technol.
  • Date: April 1993
  • Journal: Environmental Science & Technology
  • Volume: 27
  • Issue: 4
  • Pages: 725-731
  • Publisher: American Chemical Society
  • Publication type: Article
  • Bibliographic status: Published

Keywords: water partition-coefficients; henry law constants; aqueous solubility; vapor-pressures; molecular-structure; pcb congeners; dechlorination; prediction

Staff

Dr Jan Dolfing
Senior Researcher in Environmental Engineering