Page 65 - Partition & Adsorption of Organic Contaminants in Environmental Systems

56 CONTAMINANT PARTITION AND BIOCONCENTRATION

TABLE 5.1. Octanol–Water Partition Coefficients
(K ow) and Liquid or Supercooled-Liquid Solubilities in
Water (S w) of Substituted Aromatic Compounds at
Room Temperature a
Compound logS w (mol/L) logK ow
Aniline -0.405 0.90
o-Toluidine -0.817 1.29
m-Toluidine -0.853 1.40
N-Methylaniline -1.28 1.66
N,N-Dimethylaniline -2.04 2.31
o-Chloroaniline -1.53 1.90
m-Chloroaniline -1.37 1.88
Benzene -1.64 2.13
Toluene -2.25 2.69
Ethylbenzene -2.84 3.15
n-Propylbenzene -3.30 3.68
Isopropylbenzene -3.38 3.66
1,3,5-Trimethylbenzene -3.09 3.42
t-Butylbenzene -3.60 4.11
Fluorobenzene -1.80 2.27
Chlorobenzene -2.36 2.84
Bromobenzene -2.55 2.99
Iodobenzene -2.78 3.25
o-Xylene -2.72 2.77
m-Xylene -2.73 3.20
p-Xylene -2.73 3.15
Diphenylmethane -4.07 4.14
o-Dichlorobenzene -2.98 3.38
m-Dichlorobenzene -3.04 3.38
p-Dichlorobenzene (-3.03) 3.39
1,2,4-Trichlorobenzene -3.57 4.02
Biphenyl (-3.88) 4.09
2-PCB (-4.57) 4.54
3-PCB -5.16 4.95
Naphthalene (-3.08) 3.36
2-Methylnaphthalene (-3.69) 4.11
Phenanthrene (-4.48) 4.57
Anthracene (-4.63) 4.54
Pyrene (-5.24) 5.18
Hexachlorobenzene (-5.57) 5.50
p,p¢-DDT (-6.74) 6.36
Source: Data from Chiou et al. (1982b).
a Values at 20 to 25°C. Numbers in parentheses are the super-
cooled liquid solubilities of the solid solutes, estimated accord-
–
ing to Eqs. (3.9) and (3.25) with DS fus = 56.5J/mol◊K.