APPENDIX A (Continued)
Empirical Molecular
Water Solubility
c
Vapor Pressure
Henry’s Constant
at 298.15 K
b
Log KoW
d
Fish BCF
c
Chemical Name CASRN
a
Formula
b
Weight
b
mg/L
CmmHg
C Ref. (–) Ref. L/kg
Halomethanes
44 dichloromethane 75-09-2 CH
2
Cl
2
84.933 20,000 20 400 24.1 d 0.119 c 1.3 5
45 chloromethane 74-87-3 CH
3
Cl 50.488 5,150 20 3800 20 d 0.248 c 0.91
46 bromomethane 74-83-9 CH
3
Br 94.939 1420 20 d 0.00011 b 1.19
47 bromoform 75-25-2 CHBr
3
252.73 3,190 30 5.6 25 d 0.0237 b 2.38
48 dichlorobromomethane 75-27-4 CHBrCl
2
163.83 50 20 d 0.101 b 1.88
49 trichlorofluoromethane 75-69-4 CCl
3
F 137.37 1,100 20 796 25 d 4.03 b 2.53
50 dicholorodifluoromethane 75-71-8 CCl
2
F
2
120.91 280 25 4.87 25 c 13.0 b 2.16
51 dibromochloromethane 124-48-1 CHBr
2
Cl 208.28 4,750 20 15 20 d 0.0367 b 2.09
52 hexachlorobutadiene 87-68-3 C
4
Cl
6
260.76 2 20 0.15 20 d 1.026 b 4.9 3
53 hexachlorocyclopentadiene 77-47-4 C
5
Cl
6
272.77 1.8 25 8.00E-02 25 d 0.672 b 3.99 4
54 isophorone 78-59-1 C
9
H
14
O 138.21 10,400 20 0.38 20 c 0.00024 b 1.7
55 naphthalene 91-20-3 C
10
H
8
128.17 0.0202 b 3.01–3.59
56 nitrobenzene 98-95-3 C
6
H
5
NO
2
123.11 1900 20 0.15 20 d 0.00086 b 1.85
Nitrophenols
57 2-nitrophenol 88-75-5 C
6
H
5
NO
3
139.11 0.00058 b 1.79
58 p-nitrophenol 100-02-7 C
6
H
5
NO
3
139.11 0.000041 b 1.91
59 2,4-dinitrophenol 51-28-5 C
6
H
4
N
2
O
5
184.11 5,600 18 1.49E-05 18 d 1.5
c
0
60 4,6-dinitro-o-cresol 534-52-1 C
7
H
6
N
2
O
5
198.13 290 25 0.05 20 c 2.564 0
Nitrosamines
61 N-nitrosodimethylamine 62-75-9 C
2
H
6
N
2
O 74.082 1,000,000 8.1 25 d 0.57 0
62 N-nitrosodiphenylamine 86-30-6 C
12
H
10
N
2
O 198.22 0.1 25 d 3.13
63 M-nitrosodi-n-propylamine 621-64-7 C
6
H
14
N
2
O 130.19 9,900 25 0.1 25 c 1.36
64 pentachlorophenol 87-86-5 C
6
HCl
5
O 266.34 14 20 1.10E-04 25 d 0.00367 b 5.12 770
Phthalate Esters
65 di(2-ethylhexyl) phthalate 117-81-7 C
24
H
38
O
4
390.56 4.89
66 butyl benzyl phthalate 85-68-7 C
19
H
20
O
4
312.36 8.60E-06 20 d 4.77
67 dibutyl phthalate 84-74-2 C
16
H
22
O
4
278.35 13 25 7.28E-05 20 d 4.9
68 n-octyl phthalate 117-84-0 C
24
H
38
O
4
390.56 5.22
858