作者: George L. Baughman , Theresa A. Perenich
关键词: Partition coefficient 、 Organic chemistry 、 Solubility 、 Environmental exposure 、 Vapor pressure 、 Computational chemistry 、 Substituent 、 Vat dye 、 Octanol 、 Chemistry 、 Bioconcentration
摘要: Solubilities and vapor pressures from the literature are combined with calculated octanol/water partition coefficients, Kow, to assess expected environmental behavior of about 50 dyes. Most older disperse dyes (those that have been in use for decades) solubilities on order 10−7 10−6 m. This solubility suggests potential a 30- 150-fold concentration enhancement sediments bioconcentration 1,000 times absence metabolism. The data also indicate computed Kow (estimated by substituent method) may be significantly overestimated product subcooled liquid estimated is 10 100 smaller than reported most other compounds. Henry's law constants pressure show vat will entirely gas-phase-controlled their rate volatilization water this process extremely slow. No definitive conclusions can drawn more recently developed available physical compiled along structures, Color Index number, CAS number names 80 compounds.