Upper II: Calculation of physical properties of the chlorobenzenes

S. H. Yalkowsky, P. Myrdal, R. M. Dannenfelser, P. Simamora

Research output: Contribution to journalArticlepeer-review

11 Scopus citations

Abstract

The twelve chlorobenzenes are used to evaluate the previously described UPPER scheme. Twenty-one physical properties are calculated strictly from molecular structure with no adjustable or fitted parameters and compared with experimental values. The UPPER scheme does reasonably well with estimating all of the considered properties.

Original languageEnglish (US)
Pages (from-to)1675-1688
Number of pages14
JournalChemosphere
Volume28
Issue number9
DOIs
StatePublished - May 1994

ASJC Scopus subject areas

  • Environmental Engineering
  • Environmental Chemistry
  • Chemistry(all)
  • Pollution
  • Health, Toxicology and Mutagenesis

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