Page 83 - Partition & Adsorption of Organic Contaminants in Environmental Systems

74 CONTAMINANT PARTITION AND BIOCONCENTRATION

TABLE 5.5. Water Solubilities and Partition Coefficients of Organic Compounds in
Triolein–Water and Octanol–Water Systems a
Compound V logS w b logS wV logK ow logK tw
Aniline 0.0911 -0.405 -1.45 0.90 0.91
o-Toluidine 0.107 -0.817 -1.79 1.29 1.24
Benzaldehyde 0.102 -1.51 -2.50 1.48 1.58
Acetophenone 0.117 -1.31 -2.24 1.58 1.61
Anisole 0.109 -1.85 -2.82 2.11 2.31
Benzene 0.0894 -1.64 -2.69 2.13 2.25
Toluene 0.106 -2.25 -3.22 2.69 2.77
Nitrobenzene 0.102 -1.78 -2.77 1.85 2.15
Ethylbenzene 0.123 -2.84 -3.75 3.15 3.27
n-Propylbenzene 0.139 -3.30 -4.16 3.68 3.77
1,3,5-Trimethylbenzene 0.139 -3.09 -3.95 3.42 3.56
Fluorobenzene 0.0938 -1.80 -2.83 2.27 2.33
Chlorobenzene 0.102 -2.36 -3.35 2.84 2.97
Bromobenzene 0.105 -2.55 -3.53 2.99 3.12
Iodobenzene 0.112 -2.78 -3.73 3.25 3.42
o-Dichlorobenzene 0.113 -2.98 -3.98 3.38 3.51
m-Dichlorobenzene 0.114 -3.04 -3.98 3.38 3.63
p-Dichlorobenzene 0.118 (-3.03) -3.96 3.39 3.55
Hexachloroethane 4.14 4.21
1,2,3-Trichlorobenzene 0.125 (-3.74) -4.64 4.14 4.19
1,3,5-Trichlorobenzene 0.125 (-3.82) -4.72 4.31 4.36
1,2,3,4-Tetrachlorobenzene 0.142 (-4.24) -5.09 4.60 4.68
1,2,3,5-Tetrachlorobenzene 0.142 (-4.53) -5.38 4.59 4.69
1,2,4,5-Tetrachlorobenzene 0.142 4.70 4.70
Hexachlorobutadiene 0.158 -5.01 -5.81 4.90 5.04
Pentachlorobenzene 0.166 (-5.18) -5.96 5.20 5.27
Hexachlorobenzene 0.186 (-5.57) -6.30 5.50 5.50
Biphenyl 0.155 (-3.88) -4.69 4.09 4.37
2-PCB 0.174 (-4.57) -5.33 4.51 4.77
2,2¢-PCB 0.189 (-5.08) -5.57 4.80 5.05
2,4¢-PCB 0.189 (-5.28) -5.97 5.10 5.30
4,4¢-PCB 5.58 5.48
2,4,4¢-PCB 0.204 (-5.98) -6.67 5.62 5.52
2,5,2¢,5¢-PCB 5.81 5.62
2,4,5,2¢,5¢-PCB 6.11 5.81
2,4,5,2¢,4¢,5¢-PCB 6.72 6.23
p,p¢-DDT 0.250 (-6.74) -7.34 6.36 5.90
Source: Data from Chiou (1985).
a S w = solute water solubility (mol/L); V = solute molar volume (L/mol); K ow = octanol–water par-
tition coefficient; K tw = triolein–water partition coefficient.
b Values in parentheses are for the supercooled liquids.