• Bulletin of the Korean Chemical Society
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• v.28 no.7
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• pp.1183-1186
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• 2007

A shake-flask method was used to determine the n-octanol/water partition coefficients of sulfamethazine, sulfadimethoxine, sulfamethoxydiazine, sulfamonomethoxine, sulfamethoxazole, sulfaquinoxaline and sulfachloropyrazine from (298.15 to 333.15) K. The results showed that the n-octanol/water partition coefficient of each sulfonamide decreased with the increase of temperature. Based on the fluid phase equilibrium theory, the thermodynamic relationship of n-octanol/water partition coefficient depending on the temperature is proposed, and the changes of enthalpy, entropy, and the Gibbs free energy function for sulfonamides partitioning in n-octanol/ water are determined, respectively. Sulfonamides molecules partitioning in n-octanol/water is mainly an enthalpy driving process, during which the order degrees of system increased. The temperature effect coefficient of n-octanol/water partition coefficient is discussed. The results show that its magnitude is the same as that of values in the literature.

• Environmental Analysis Health and Toxicology
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• v.16 no.4
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• pp.189-196
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• 2001

Octanol/water partition coefficients of 52 chemicals were calculated using RP-HPLC estimation method and predicted by computer program, PCHEM. The result showed relationship between literature values and RP-HPLC observed values (relative coefficient r$^2$＝0.916), but the relationship of PCHEM values with literature values was lower than RP-HPLC value (relative coefficient r$^2$＝0.795). The average difference in partition coefficient between the RP-HPLC method and flask-shaking method was log Kow＝0.54, while the average difference between the values predicted form the computer program and flask- shaking method was log Kow = 0.36 Compared to octanol/water partition coefficients by 3 methods (Flask-shaking, RP-HPLC, computer prediction), the octanol/water partition coefficient values based on the flask-shaking method were very similar to the literature values, while the octanol/water partition coefficient values by RP-HPLC method without to consider the dead time, and computer prediction values did not significantly differ with the literature values.

• Environmental Analysis Health and Toxicology
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• v.20 no.4 s.51
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• pp.351-358
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• 2005

The n -octanol/water partition coefficient (Pow) is one of the most important parameters employed for estimating a chemiral's environmental fate and toxicity. The shake-flask method, one direct experimental method, i.1 prone to experimental artifacts for highly hydrophobic compounds. Thus, a valid method for direct determination of the Pow of highly hydrophobic compounds is needed. The slow -stirring method has been demonstrated to provide reliable log Pow data to log Pow greater than 5. This study was performed to evaluate the accuracy of slow- stirring experiment for determination of log Pow, particularly for highly hydrophobic compounds. 1, 2, 3, 4-tetrachlorobenzene, hexachlorobezene, 2, 2', 3, 3', 5, 5', 6, 6'-octachlorobiphenyl, decachlorobiphenyl, and p, p'-DDT (4.5$\times$0.02, 5.41$\times$0.06, 7.26$\times$0.04, 7.87$\times$0.10, and 6.03$\times$0.06, respectively. The octanol/water partition coefficient by the slow-stirring method were very similar to the literature values. These results indicate that the slow- stirring method allows for reliable determination of log Pow of highly hydrophobic chemicals.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 1996.11a
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• pp.50-53
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• 1996

This paper reports the experimental results for the determination of the overall partition coefficient of VOCs in unsaturated soil, A chromatographic method was used for the determination of gaseous partition coefficients to natural soil under various water content conditions. The equilibrium vapor pressure of water over saturated salt solution was used to fix the relative humidity of the air and control the water content of the soil systems. The transport behavior was studied for dichloromethane, trichloroethane and dichlorobenzene pollutants, with log octanol-water partition coefficients(log $K_{ow}$ ) which range from 1.25 to 3.39, or water to soil partitioning which varies by 135 times; water solubility constants which vary by 3 times; and vapor pressures which range from 1 to 362 torr. Water content of the soil had a pronounced effect on the effective partition coefficient(between gas and soil + water stationary phase) as well as on the effective dispersion coefficient.

• Proceedings of the Korea Society of Environmental Toocicology Conference
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• 2000.12a
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• pp.72-72
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• 2000

• Proceedings of the Korea Society of Environmental Toocicology Conference
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• 1997.12a
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• pp.116-116
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• 1997

• Proceedings of the Korea Society of Environmental Toocicology Conference
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• 2002.05a
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• pp.34-34
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• 2002

• Journal of Korean Society on Water Environment
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• v.27 no.3
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• pp.329-333
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• 2011

p-phenylene-2,5-benzobisoxazole (PBO; Zylon$(R)$) fibers as an adsorbent were employed for solid phase extraction of aqueous alkylphenols. The removal ratios for 10 kinds of alkylphenols at initial concentration of $100{\mu}gL^{-1}$ were in the range of 16.8-96.3% and the removals increased with the increase of the phase ratio (fiber weight/solution volume). The plots of the logarithm of partition coefficient (log K) were correlated with the logarithm of the n-octanol/water partition coefficient (log P). The adsorbed alkylphenols were completely desorbed with the mixture of acetonitrile and dichloromethane.

• Journal of Korean Society of Water and Wastewater
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• v.21 no.3
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• pp.349-357
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• 2007

Reports of endocrine disrupting compounds (EDCs), pharmaceutically active compounds (PhACs), and personal care products (PCPs) have raised substantial concern in important potable drinking water quality issues. Our study investigates the removal of EDCs, PhACs, and PCPs of 10 compounds having different physico-chemical properties (e.g., molecular weight, and octanol-water partition coefficient ($K_{OW}$)) by nanofiltration (NF) membranes. The rejection of micropollutants by NF membranes ranged from 93.9% to 99.9% depending on solute characteristics. A batch adsorption experiments indicated that adsorption is an important mechanism for transport/removal of relatively hydrophobic compounds, and is related to the octanol-water partition coefficient values. The transport phenomenon associated with adsorption may also depend on solution water chemistry such as pH and ionic strength influencing the pKa value of compounds. In addition, it was visually seen that the retention was somewhat higher for the larger compounds based on their molecular weight. These results suggest that the NF membrane retains many organic compounds due to both hydrophobic adsorption and size exclusion mechanisms.

• Advances in environmental research
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• v.7 no.2
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• pp.139-159
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• 2018

Green Leaf Volatiles (GLVs) is a class of biogenically emitted oxygenated hydrocarbons that have been identified as a potential source of Secondary Organic Aerosols (SOA) via aqueous oxidation. The physico-chemical properties of GLVs are vital to understanding their fate and transport in the atmosphere via fog processing, but few experimental data are available. We studied the aqueous solubility, 1-octanol/water partition coefficient, and Henry's law constant ($K_H$) of five GLVs at $25^{\circ}C$: methyl jasmonate, methyl salicylate, 2-methyl-3-buten-2-ol, cis-3-hexen-1-ol, and cis-3-hexenyl acetate. Henry's law constant was also measured at temperatures and ionic strengths typical of fog. Experimental values are compared to scarcely-available literature values, as well as estimations using group and bond contribution methods, property-specific correlations and molecular dynamics simulations. From these values, the partition coefficients to the air-water interface were also calculated. The large Henry's law constant of methyl jasmonate ($8091{\pm}1121M{\cdot}atm^{-1}$) made it the most significant GLV for aqueous phase photochemistry. The HENRYWIN program's bond contribution method from the Estimation Programs Interface Suite (EPI Suite) produced the best estimate of the Henry's constant for GLVs. Estimations of 1-octanol/water partition coefficient and solubility are best when correlating an experimental value of one to find the other. Finally, the scavenging efficiency was calculated for each GLV indicating aqueous phase processing will be most important for methyl jasmonate.