환경유해물질의 Octanol/Water 분배계수와 Air/Water 분배계수 측정 및 추산

박영신; 박소진; Young Shin Park; So Jin Park

Journal of the Korean Industrial and Engineering Chemistry, Vol.11, No.7, 773-779, November, 2000

Determination and Prediction of Octanol/Water Partition Coefficients and Air/Water Partition Coefficients for Environmental Toxic Chemicals

박영신, 박소진 ^†

충남대학교 공과대학 화학공학과, 대전 305-764

Young Shin Park, and So Jin Park^†

Department of Chemical Engineering, Chungnam National University, Taejon 305-764, Korea

E-mail:

초록

유해 화학물질의 환경에서의 거동예측에 유용하게 사용되는 octanol/water 분배계수(K(ow))를 22가지 환경 유해화합물에 대하여 Slow Stirring(SS)법으로 측정하였고, air/water 분배계수(K(aw))를 역시 12가지 화합물에 대하여 equilibrium partitioning in closed system (EPICS) 법으로 측정하였다. K(ow)의 경우, 실험치를 UNIFAC식을 이용하여 예측한 값과 비교해 보았다. 실측한 K(ow)와 K(aw)의 대수치는 모두 몰부피의 증가에 대하여 대체적으로 증가하는 경향을 보였다.

Octanol/water partition coefficients (K(ow)) were measured for twenty two(22) environmentally toxic chemicals by using the Slow stirring (SS) method. Air/water partition coefficients (K(aw)) were measured for twelve (12) chemicals by using the Equilibrium Partitioning In Closed System (EPICS) method. K(ow) and K(aw) were used to estimate the behavior of the toxic chemicals. The measured K(ow) values were compared with the estimated values calculated by the UNIFAC equation. The logarithmic K(ow) and K(aw) generally increased with increasing molar volumes of the chemicals.

Keywords:K(ow);K(aw);Slow stirring;Method EPICS;UNIFAC

[References]

Mackay D, "Multimedia Environmental Model: the Fugacity Approach," Lewis Pub. Inc. (1991)
Mackay D, Shiu WP, Sutherland RP, Environ. Sci. Technol., 13, 333 (1979)
Fujita T, Iwasa J, Hansch C, J. Am. Chem. Soc., 86, 5175 (1964)
Devoe H, Miller MM, Wasik SP, J. Res. Nat. Bur. Stand., 86, 4 (1981)
Woodburn KB, Doucette WJ, Andren AW, Environ. Sci. Technol., 18, 6 (1984)
de Bruijin J, Busser F, Seinen W, Hermens J, Environ. Toxicol. Chem., 8 (1989)
Lincoff AH, Gossett JM, "Gas Transfer at Water Surface," Brutsaert, W., Jirka, G.H. ed., Reidel, Dordrecht, Holland (1984)
Fendinger NJ, Glotfelty KC, Environ. Sci. Technol., 22, 1289 (1988)
Bidleman TF, Anal. Chem., 56, 3 (1984)
Pinsuwan S, Li A, Yalkowsky SH, J. Chem. Eng. Data, 40(3), 623 (1995)
Swann RL, Laskoski DA, McCall PJ, Vander KK, Dishburger HJ, "Residue Reviews 85," Springer-Verlag, New York, Inc. (1983)
Schwarzenbach RP, Gschwend PM, Imboden DM, "Environmental Organic Chemistry," John Wiley & Sons, Inc. (1993)
Leo A, Hansch C, Elkins D, Chem. Rev., 71, 6 (1971)
Mackay D, Environ. Sci. Technol., 11, 1219 (1977)
Tse G, Sandler SI, J. Chem. Eng. Data, 39(2), 354 (1994)
Gmehling J, Onken U, Arlt W, "Vapor-Liquid Equilibrium Data Collection," DECHEMA (1981)
Park SJ, Back JM, J. Ind. Eng. Chem., 6(2), 100 (2000)
Park SJ, Han SD, Ryu SA, HWAHAK KONGHAK, 35(6), 915 (1997)
Han SD, Park SJ, Park SJ, HWAHAK KONGHAK, 35(1), 96 (1997)
Hansch C, Leo A, "Substituent Constants for Correlation Analysis in Chemistry and Biology," John Wiley & Sons, Inc. (1979)
Gmehling J, Dortmund Data Bank(DDB) overview, DDB data directory, vision 2000 (2000)
Sangster J, J. Phys. Chem. Ref. Data, 18, 3 (1989)

[Referenced By]

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[1] Mackay D, "Multimedia Environmental Model: the Fugacity Approach," Lewis Pub. Inc. (1991)

[2] Mackay D, Shiu WP, Sutherland RP, Environ. Sci. Technol., 13, 333 (1979)

[3] Fujita T, Iwasa J, Hansch C, J. Am. Chem. Soc., 86, 5175 (1964)

[4] Devoe H, Miller MM, Wasik SP, J. Res. Nat. Bur. Stand., 86, 4 (1981)

[5] Woodburn KB, Doucette WJ, Andren AW, Environ. Sci. Technol., 18, 6 (1984)

[6] de Bruijin J, Busser F, Seinen W, Hermens J, Environ. Toxicol. Chem., 8 (1989)

[7] Lincoff AH, Gossett JM, "Gas Transfer at Water Surface," Brutsaert, W., Jirka, G.H. ed., Reidel, Dordrecht, Holland (1984)

[8] Fendinger NJ, Glotfelty KC, Environ. Sci. Technol., 22, 1289 (1988)

[9] Bidleman TF, Anal. Chem., 56, 3 (1984)

[10] Pinsuwan S, Li A, Yalkowsky SH, J. Chem. Eng. Data, 40(3), 623 (1995)

[11] Swann RL, Laskoski DA, McCall PJ, Vander KK, Dishburger HJ, "Residue Reviews 85," Springer-Verlag, New York, Inc. (1983)

[12] Schwarzenbach RP, Gschwend PM, Imboden DM, "Environmental Organic Chemistry," John Wiley & Sons, Inc. (1993)

[13] Leo A, Hansch C, Elkins D, Chem. Rev., 71, 6 (1971)

[14] Mackay D, Environ. Sci. Technol., 11, 1219 (1977)

[15] Tse G, Sandler SI, J. Chem. Eng. Data, 39(2), 354 (1994)

[16] Gmehling J, Onken U, Arlt W, "Vapor-Liquid Equilibrium Data Collection," DECHEMA (1981)

[17] Park SJ, Back JM, J. Ind. Eng. Chem., 6(2), 100 (2000)

[18] Park SJ, Han SD, Ryu SA, HWAHAK KONGHAK, 35(6), 915 (1997)

[19] Han SD, Park SJ, Park SJ, HWAHAK KONGHAK, 35(1), 96 (1997)

[20] Hansch C, Leo A, "Substituent Constants for Correlation Analysis in Chemistry and Biology," John Wiley & Sons, Inc. (1979)

[21] Gmehling J, Dortmund Data Bank(DDB) overview, DDB data directory, vision 2000 (2000)

[22] Sangster J, J. Phys. Chem. Ref. Data, 18, 3 (1989)