• Bulletin of the Korean Chemical Society
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• 제28권7호
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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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• 제16권4호
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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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• 제20권4호통권51호
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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.

• 한국지하수토양환경학회:학술대회논문집
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• 한국지하수토양환경학회 1996년도 경북지부 결성 및 추계학술발표회 논문집
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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.

• 한국환경독성학회:학술대회논문집
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• 한국환경독성학회 2000년도 추계심포지움 및 학술발표회:바이오모니터링 기법을 이용한 환경위해성 평가
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• pp.72-72
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• 2000

• 한국환경독성학회:학술대회논문집
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• 한국환경독성학회 1997년도 제20회 화학물질의 환경독성과 건강영향
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• pp.116-116
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• 1997

• 한국환경독성학회:학술대회논문집
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• 한국환경독성학회 2002년도 춘계학술대회(Genomics, Proteomics, and Risk Assesment):환경독성 및 위해성 평가 국제 심포지움
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• pp.34-34
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• 2002

• 한국물환경학회지
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• 제27권3호
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• pp.329-333
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• 2011

흡착제로서의 PBO 섬유가 수용성 알킬페놀 화합물의 고상 추출용으로 사용되었다. 초기농도 $100{\mu}gL^{-1}$ 에서 10 종류의 알킬페놀에 대한 제거율은 16.8~96.3%였고, 제거율은 섬유무게/액체부피비의 증가에 따라 증가하였다. log K는 log P와 일치하였다. 흡착된 알킬페놀은 아세트니트릴과 디클로로메탄의 혼합액으로 충분히 탈착되었다.

• 상하수도학회지
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• 제21권3호
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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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• 제7권2호
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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.