Determination of 1-octanol-air partition coefficient using gaseous diffusion in the air boundary layer

Yeonjeong Ha, Jung-Hwan Kwon

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

Exact determination of the partition coefficient between 1-octanol and air (K OA) is very important because it is a key descriptor for describing the thermodynamic partitioning between the air and organic phases. In spite of its importance, the number and quality of experimental K OA values for hydrophobic organic chemicals are limited because of experimental difficulties. Thus, to measure K OA values, a high-throughput method was developed that used liquid-phase extraction with 1-octanol drop at the tip of a microsyringe needle. The concentration in the headspace surrounding the 1 μL octanol drop was equilibrated with liquid octanol containing polycyclic aromatic hydrocarbons (PAHs). The change in concentrations of PAHs in the octanol drop was measured to obtain mass transfer rate constants, and these rate constants were then converted into K OA values using a film diffusion model. Thirteen polycyclic aromatic hydrocarbons with log K OA between 5 and 12 were chosen for the proof of the principle. Experimental determination of log K OA was accomplished in 30 h for PAHs with their log K OA less than 11. The measured log K OA values were very close to those obtained by various experimental and estimation methods in the literature, suggesting that this new method can provide a fast and easy determination of log K OA values for many chemicals of environmental interests. In addition, the applicability of the method can be extended to determine Henry's law constant for compounds with low vapor pressure and to estimate gaseous transfer rate of semivolatile compounds for environmental fate modeling.

Original languageEnglish
Pages (from-to)3041-3046
Number of pages6
JournalEnvironmental Science and Technology
Volume44
Issue number8
DOIs
Publication statusPublished - 2010 Apr 15
Externally publishedYes

Fingerprint

1-Octanol
Polycyclic Aromatic Hydrocarbons
partition coefficient
Octanols
PAH
Boundary layers
boundary layer
Air
air
Rate constants
Organic Chemicals
Vapor Pressure
Liquid-Liquid Extraction
liquid
environmental fate
Liquids
estimation method
Vapor pressure
Thermodynamics
vapor pressure

ASJC Scopus subject areas

  • Chemistry(all)
  • Environmental Chemistry

Cite this

Determination of 1-octanol-air partition coefficient using gaseous diffusion in the air boundary layer. / Ha, Yeonjeong; Kwon, Jung-Hwan.

In: Environmental Science and Technology, Vol. 44, No. 8, 15.04.2010, p. 3041-3046.

Research output: Contribution to journalArticle

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