1-octanol-water partitioning as a classifier of water soluble organic matters: Implication for solubility distribution

Figures & data

Figure 1. K_OW–S relationships of organic compounds. Empirical relationships for these quantities are also shown (Table 1).

Table 1. The relationships between K_OW and S proposed in literature. Unit conversion factors were applied to original equations so that S can be represented in g cm⁻³.

Reference	Equation
Kenaga and Goring (1980)	log KOW = −0.642 − 0.8 log S
Valvani et al. (1981)	log KOW = −0.63 − 1.05 log S
Coates et al. (1985)	log KOW = −1.79 − 0.94 log S
Isnard and Lambert (1989)	log KOW = 0.3 − 0.72 log S

Figure 2. Notations for different solutions.

Figure 3. (a) Fractions of organic materials partitioning to 1-octanol and aqueous phases following single extraction, plotted against K_OW. (b) Same as (a) but plotted against S.

Figure 4. (a) Fractions of organic materials partitioning to 1-octanol and aqueous phases following multiple extractions, plotted against K_OW. (b) Same as (a) but plotted against S.

Figure 5. A photograph of 1-octanol (O₁A₀) and aqueous (A₁A₀) phases separated at = 0.01, 0.1, and 1. The samples were prepared by dissolving organic aerosol particles that were generated by mosquito coil burning in water. See the text for details.

Figure 6. Normalized mass spectra of organic materials quantified by the ToF-ACSM. (a) Online measurement and (b) WSOM.

Figure 7. Mass spectra of WSOM measured by the ToF-ACSM following classification by 1-octanol-water partitioning (single extraction). (a) Aqueous phase (A₁A₀, = 1), (b) 1-octanol phase (O₁A₀, = 1), (c) aqueous phase (A₁A₀, = 0.1), (d) 1-octanol phase (O₁A₀, = 0.1), (e) aqueous phase (A₁A₀, = 0.01), and (f) 1-octanol phase (O₁A₀, = 0.01).

Figure 8. Mass fractions of WSOM partitioned to 1-octanol and aqueous phases at = 0.01, 0.1, and 1. These values are estimated from the ACSM mass spectra. See the text for details.

Figure A1. Comparison of penetration ratio of organic compounds through XAD-8 column measured by Sullivan and Weber (2006) with (a) experimentally determined K_OW, and with (b) estimated values of K_OW.

Kenaga, E. E., and Goring, C. A. (1980). Relationship Between Water Solubility, Soil Sorption, Octanol-Water Partitioning, and Concentration of Chemicals in Biota. in Aquatic Toxicology Proceedings of the Third Annual Symposium on Aquatic Toxicology, J. G. Eaton, P. R. Parrish, and A. C. Hendriclcs, eds., American Society for Testing and Materials, Baltimore, MD, pp. 78–115.

 Google Scholar

Valvani, S. C., Yalkowsky, S. H., and Roseman, T. J. (1981). Solubility and Partitioning IV: Aqueous Solubility and Octanol-Water Partition-Coefficients of Liquid Non-Electrolytes. J. Pharm. Sci., 70:502–507.

 PubMed Web of Science ®Google Scholar

Coates, M., Connell, D. W., and Barron, D. M. (1985). Aqueous Solubility and Octan-1-ol to Water Partition-Coefficients of Aliphatic-Hydrocarbons. Environ. Sci. Technol., 19:628–632.

 PubMed Web of Science ®Google Scholar

Isnard, P., and Lambert, S. (1989). Aqueous Solubility and N-Octanol Water Partition-Coefficient Correlations. Chemosphere, 18:1837–1853.

 Web of Science ®Google Scholar

Sullivan, A. P., and Weber, R. J. (2006). Chemical Characterization of the Ambient Organic Aerosol Soluble in Water: 1. Isolation of Hydrophobic and Hydrophilic Fractions with a XAD-8 Resin. J. Geophys. Res., 111:D05314.

 Google Scholar