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논문 기본 정보
- 자료유형
- 학술저널
- 저자정보
- 발행연도
- 2001.12
- 수록면
- 189 - 196 (8page)
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초록· 키워드
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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 r²=0.916), but the relationship of PCHEM values with literature values was lower than RP-HPLC value (relative coefficient r²=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.
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.
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