Document 22m9Ly21k7j1D27aqBXKmv7R
APPENDIX A. ENVIRONMENTAL CHEMISTRY
The tables in this appendix are discussed in Chapter 2. References listed at the end of each table are included in the reference list at the end of Chapter 2. Following are the tables included in this Appendix:
Page
Table A-1. Table A-2.
Physical and Chemical Properties For the Dioxin, Furan, and PCB C o n g e n e rs ..................................................................... A-2
Rankings For the Physical and Chemical Property Literature ..................................................................................... A -1 7
DRAFT--DO NOT QUOTE OR CITE
A-1
December 2003
Congener
CAS No.
1 ,2 ,3 ,4 -T C D D 30746-58-8
1 ,2 ,3 ,6 -T C D D 71669-25-5 1 ,2 ,3 ,7 -T C D D 67028-18-6
1 ,2 ,3 ,8 -T C D D 53555-02-5 1 ,2 ,3 ,9 -T C D D 71669-26-6
1 ,2 ,4 ,6 -T C D D 71669-27-7 1 ,2 ,4 ,7 -T C D D 71669-28-8
1 ,2 ,4 ,8 -T C D D 71669-29-9 1 ,2 ,4 ,9 -T C D D 71665-99-1
1 ,2 ,6 ,7 -T C D D 40581-90-6 1 ,2 ,6 ,8 -T C D D 67323-56-2
1 ,2 ,6 ,9 -T C D D 40581-91-7
Table A -1 . P-Chem Properties fo r the D ioxin, Furan, and PCB Congeners
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
3 .8 8 E -0 4 -
25 5 ,3 8 ,4 6 ,5 1 ,53
6 .3 0 E -0 4
[5 .5 0 E -0 4 ]
[25]
[53]
Vapor Pressure
Henry's Law Constant
V a lu e a,b
Temp.
Valuea
(mm Hg)
(C)
Ref. (atm -m 3/m ol) Ref.
Tetrachlorodibenzo-p-dioxins (MW = 321.98)
1.81E-084 .8 0 E -0 8 [4 .8 0 E -0 8 ]
25 [25]
9,33,53 [9,53]
1.99E-05(3.70E-05) [1 .9 9 E -0 5 ]
5,51,53 [51]
2 .8 0 E -0 4 7 .3 0 E -0 4 [4 .2 0 E -0 4 ]
20-26 [20]
6,53 [6,53]
(7.50E-09)-
25
9 ,2 1 ,5 2 ,5
(7.57E-06)
(5.3E-08)
3
[7 .5 0 E -0 9 ]
[25]
[21,53]
9,53
Log Ko
Valuea
Ref.
Log Koc
Valuea
Ref.
(5.50)(8.97) [6.60] 6.86
(5.50)(8.81) [6.90] 6.48
6.39
6.10
6.25
6.25
6.10
5 ,7 ,8 ,1 0 , 2 6 ,2 9 ,5 3
[53] 10
5 ,7 ,8 ,1 0 , 26,53 [53] 10
10
10
10
10
10
4 .2 6 6.55
45,53
6.43
10
DRAFT--DO NOT QUOTE OR CITE
A-2 December 2003
Table A-1 (continued)
Congener
CAS No.
1 ,2 ,7 ,8 -T C D D 3 4 8 1 6 -5 3 -0
1 ,2 ,7 ,9 -T C D D 71669-23-3
1 ,2 ,8 ,9 -T C D D 62470-54-6
1 ,3 ,6 ,8 -T C D D 33423-92-6
1 ,3 ,6 ,9 -T C D D 71669-24-4
1 ,3 ,7 ,8 -T C D D 50585-46-1
1 ,3 ,7 ,9 -T C D D 62470-53-5
1 ,4 ,6 ,9 -T C D D 40581-93-9
1 ,4 ,7 ,8 -T C D D 4 0 5 8 1 -9 4 -0
2 ,3 ,7 ,8 -T C D D 1746-01-6
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
1.68E-04(6.0E-04) [3.2E-04]
20-25 [20]
6 ,7 ,3 8 ,5 3 [7,53]
7 .9 1 E -0 6 4 .8 3 E -0 4 [1 .9 3 E -0 5 ]
17-25 [25]
1,2,4,5,27, 3 6 ,5 0 ,5 3
[4,53]
Congener Group Average
(3.3E-04)
25
20
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
Ref.
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
Log Ko,,
Valuea 6.38
Ref. 10
6.86
10
(5.25E-09)4 .0 3 E -0 6 [5 .2 5 E -0 9 ]
20-25 [25]
7,9,53 [9,53]
(5.92E-06)6.81E-05 [6 .9 5 E -0 6 ]
5 ,7 ,5 3 [53]
(5.5)-(9.43) [7.10] 6.25
5 ,7 ,8 ,1 0 , 26,53 [5,53]
10
(6.3E-09)
25
9
6.30
10
6 .3 9 -7 .0 6 [6.39]
6.38
8 ,1 0 [10]
10
6.39
10
7.40E-103 .3 8 E -0 8 [1 .5 0 E -0 9 ]
25 [25]
2 ,3 ,5 ,9 ,3 4,53 [9,53]
(2.07E-08)(1.02E-04) [3 .2 9 E -0 5 ]
2 ,3 ,5 ,5 3 [53]
5 .3 8 -8 .9 3 [6.80]
2 ,4 ,5 ,8 ,1 0 , 50,53 [53]
(1 .4E-08)
25
20
(1 .7E-05)
20
(6.5)
20
Log Koc
Valuea
Ref.
2.05(6.74)
53
3.068.50
[6.46.66]
3 2 ,4 7 ,4 8 , 4 9 ,5 0 ,5 3 ,5 7
[50,57]
DRAFT--DO NOT QUOTE OR CITE
A-3 December 2003
Table A-1 (continued)
Congener CAS No.
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
1,2,3,4,6-PeCDD 67028-19-7
1,2,3,4,7-PeCDD 39227-61-7
1,2,3,6,7-PeCDD 71925-15-0
1,2,3,6,8-PeCDD 71925-16-1
1,2,3,6,9-PeCDD 82291-34-7
1,2,3,7,8-PeCDD 40321-76-4
9 .5 5 E -0 5 8 .1 6 E -0 3 [1 .1 8 E -0 4 ]
20-26 [20]
1,2,3,7,9-PeCDD 71925-17-2
1,2,3,8,9-PeCDD 71925-18-3
1,2,4,6,7-PeCDD 82291-35-8
1,2,4,6,8-PeCDD 71998-76-0
1,2,4,6,9-PeCDD 82291-36-9
1,2,4,7,8-PeCDD 58802-08-7
5 ,6 ,3 8 ,5 3 [6,53]
Vapor Pressure
Henry's Law Constant
V a lu e a,b
Temp.
Valuea
(mm Hg)
(C)
Ref. (atm -m 3/m ol) Ref.
Pentachlorodibenzo-p-dioxins (MW = 356.42)
(6.60E-10)7.5E-09
[6 .6 0 E -1 0 ]
25 [25]
5 ,9 ,5 3 [9,53]
(2.63E-06)
5,53
(4.4E-10)9 .4 8 E -1 0 [4 .4 0 E -1 0 ]
25 [25]
9,33 [9]
(5.8E-10)
25
9
Log Ko,,
Valuea
Ref.
Log Koc
Valuea
Ref.
6.30
6.60(10.05) [7.40]
6.74
6.53
6.24
6.64
10
5 ,7 ,8 ,1 0 , 26,53 [53] 10
10
10
10
4 .8 5 6.38
45,53
6.40
10
6.60 6.20
10 10
DRAFT--DO NOT QUOTE OR CITE
A-4 December 2003
Congener
CAS No.
1,2,4,7,9-PeCDD 8 2 2 9 1 -3 7 -0
1,2,4,8,9-PeCDD 82291-38-1
Congener Group Average
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
(1 .18E-04)
20
20
1 ,2 ,3 ,4 ,6 ,7 HxCDD
58200-66-1
1 ,2 ,3 ,4 ,6 ,8 HxCDD
58200-67-2
1 ,2 ,3 ,4 ,6 ,9 HxCDD
58200-68-3
1 ,2 ,3 ,4 ,7 ,8 HxCDD
39227-28-6
1 ,2 ,3 ,6 ,7 ,8 HxCDD
57653-85-7
1 ,2 ,3 ,6 ,7 ,9 HxCDD
64461-98-9
1 ,2 ,3 ,6 ,8 ,9 HxCDD
58200-69-4
4 .0 0 E -0 6 6 .4 4 E -0 6 [4 .4 2 E -0 6 ]
21-26 [25]
5,6,53 [6,53]
DRAFT--DO NOT QUOTE OR CITE
Table A-1 (continued)
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
Ref.
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
Log Ko,,
Valuea
Ref.
Log Koc
Valuea
Ref.
(5.6E-10)
25
20
(2.6E-06)
Hexachlorodibenzo-p-dioxins (MW = 390.87)
20
(6.6)
20
6.85
10
(3.8E-11)1.01E-10 [3.8E-11]
(3.6E-1 1)
25 [25] 25
5,9,33, 53
[9,53]
9
(1.07E-05)(4.46E-05) [1 .0 7 E -0 5 ]
5,19,53 [53]
7 .7 9 -1 0 .4 4 [7.80]
7 ,8 ,2 6 ,5 3 [53]
5 .0 2 (7.10)
7.59
10
7.59
10
45,53
A-5 December 2003
Congener
CAS No.
1 ,2 ,3 ,7 ,8 ,9 HxCDD
19408-74-3
1 ,2 ,4 ,6 ,7 ,9 HxCDD
39227-62-8
1 ,2 ,4 ,6 ,8 ,9 HxCDD
58802-09-8
Congener Group Average
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
(4.4E-06)
25
20
1 ,2 ,3 ,4 ,6 ,7 ,8 HpCDD
35822-46-9
1 ,2 ,3 ,4 ,6 ,7 ,9 HpCDD
58200-70-7
Congener Group Average
2.3E-062 .5 6 E -0 6 [2.4E-06]
20-26 [20]
(2.4E-06)
20
5,6,53 [6,53]
20
1 ,2 ,3 ,4 ,6 ,7 ,8 ,9 OCDD
3268-87-9
7.4E-087 .3 6 E -0 6 [7.4E-08]
20-25 [25]
5 ,6 ,7 ,5 3 [5,53]
1,2,3,4-TCDF 30402-14-3
Table A-1 (continued)
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
(4.9E-1 1)
25
Ref. 9
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
(5.1E-1 1)
25
9
(4.4E-1 1)
25
20
(1.1E-05)
Heptachlorodibenzo-p-dioxins (MW = 425.31)
(5.6E-12)-
25
9 ,3 3 ,5 3
(1.31E-06)-
(2.40E-10)
(1.26E-05)
[5.6E-12]
[25]
[9,53]
[1 .2 6 E -0 5 ]
20
5,53 [53]
(5.6E-12)
25
20
(1 .3E-05)
Octachlorodibenzo-p-dioxin (MW = 460.76)
(8.25E-13)6.54E-08 [8 .2 5 E -1 3 ]
20-25
7 ,9 ,3 3 , 53
[9,53]
(6.75E-06)
Tetrachlorodibenzofurans (MW = 305.98)
(3.1E-08)
25
21
20 5,53
Log Ko,,
Valuea
Ref.
Log Koc
Valuea
Ref.
6.85 6.85 (7.3)
10 10 20
7.92(11.98) [8.00]
7 ,8 ,1 0 ,2 6 , 53 [53]
5.47(7.80)
53
(8.0)
20
(7.5)-(13) [8.20]
5 ,7 ,8 ,2 6 , 29,53 [5,53]
5.92(7.90)
6.17
10
53
DRAFT--DO NOT QUOTE OR CITE
A-6 December 2003
Congener
CAS No.
1 ,2 ,3 ,6 -T C D F 83704-21-6
1,2,3,7-TCDF 83704-22-7
1,2,3,8-TCDF 62615-08-1
1,2,3,9-TCDF 83704-23-8
1,2,4,6-TCDF 71998-73-7
1,2,4,7-TCDF 83719-40-8
1,2,4,8-TCDF 64126-87-0
1,2,4,9-TCDF 83704-24-9
1,2,6,7-TCDF 8 3 7 0 4 -2 5 -0
1,2,6,8-TCDF 8 3 7 1 0 -0 7 -0
1,2,6,9-TCDF 70648-18-9
1,2,7,8-TCDF 58802-20-3
1,2,7,9-TCDF 83704-26-1
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
DRAFT--DO NOT QUOTE OR CITE
Table A-1 (continued)
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
Ref.
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
(3.2E-08) (2.1E-08)
25 25
21 21
Log Ko,,
Valuea 6.15
Ref. 10
6.15 6.06
10 10
Log Koc
Valuea
Ref.
(2.2E-08)
25
21
(2.0E-08)
25
21
6.31
10
6.25
10
( 1 .8E-08) (2.5E-08)
25 25
21 21
A-7
6.23 6.25
10 10
December 2003
Congener
CAS No.
1 ,2 ,8 ,9 -T C D F 70648-22-5
1 ,3 ,4 ,6 -T C D F 83704-27-2
1,3,4,7-TCDF 70648-16-7
1,3,4,8-TCDF 92341-04-3
1,3,4,9-TCDF 83704-28-3
1,3,6,7-TCDF 571 17-36-9
1,3,6,8-TCDF 71998-72-6
1,3,6,9-TCDF 83690-98-6
1,3,7,8-TCDF 571 17-35-8
1,3,7,9-TCDF 64560-17-4
1,4,6,7-TCDF 66794-59-0
1,4,6,8-TCDF 82911-58-8
1,4,6,9-TCDF 70648-19-0
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
DRAFT--DO NOT QUOTE OR CITE
Table A-1 (continued)
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
Ref.
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
Log Ko,,
Valuea
Ref.
Log Koc
Valuea
Ref.
(2.8E-08) (2.7E-08)
25 25
21 21
6.31 6.23 6.13 5.89
10 10 10 10
6.37
10
( 1 .9E-08) (2.6E-08)
25 25
21 21
6.34 6.34 6.15
10 10 10
5.60
10
A-8 December 2003
Congener
CAS No.
1 ,4 ,7 ,8 -T C D F 83704-29-4
1 ,6 ,7 ,8 -T C D F 8 3 7 0 4 -3 3 -0
2 ,3 ,4 ,6 -T C D F 83704-30-7
2 ,3 ,4 ,7 -T C D F 83704-31-8
2 ,3 ,4 ,8 -T C D F 83704-32-9
2 ,3 ,6 ,7 -T C D F 571 17-39-2
2 ,3 ,6 ,8 -T C D F 571 17-37-0
2 ,3 ,7 ,8 -T C D F 51207-31-9
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
4 .1 9 E -0 4
22.7
11
2 ,4 ,6 ,7 -T C D F 571 17-38-1
2 ,4 ,6 ,8 -T C D F 5 8 8 0 2 -1 9 -0
3 ,4 ,6 ,7 -T C D F 571 17-40-5
Congener Group Average
(4.2E-04)
22.7
20
DRAFT--DO NOT QUOTE OR CITE
Table A-1 (continued)
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
Ref.
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
Log Ko,,
Valuea
Ref.
Log Koc
Valuea
Ref.
(4.0E-08)
25
21
(2.9E-08)
25
21
(2.8E-08)
25
21
(2.1E-08)
25
21
(2.0E-08)
25
21
8 .9 6 E -0 9 (1.5E-08) [1.5E-08]
(3.3E-08)
25
2 1 ,3 3 ,5 3
(1.44E-05)-
(1.48E-05)
[25] [21,53] [1.44E-05]
25 21
(2.0E-08)
25
21
5 3 ,5 4 [53]
6.17 6.11 6.06
10 10 10
6.31 6.73
5 .8 2 -6 .5 3 [6.1] 6.25
6.17
10 10
8,10,53 [53] 10
10
(5.20)(7.50)
53
(2.5E-08)
25
20
(1 .4E-05)
Pentachlorodibenzofurans (MW = 340.42)
20
(6.2)
A-9 December 2003
20
Congener
CAS No.
1,2,3,4,6-PeCDF 83704-47-6
1,2,3,4,7-PeCDF 83704-48-7
1 ,2 ,3 ,4 ,8 -P e C D F 67517-48-0
1 ,2 ,3 ,4 ,9 -P e C D F 83704-49-8
1 ,2 ,3 ,6 ,7 -P e C D F 571 17-42-7
1 ,2 ,3 ,6 ,8 -P e C D F 83704-51-2
1 ,2 ,3 ,6 ,9 -P e C D F 83704-52-3
1 ,2 ,3 ,7 ,8 -P e C D F 57117-41-6
1 ,2 ,3 ,7 ,9 -P e C D F 83704-53-4
1 ,2 ,3 ,8 ,9 -P e C D F 83704-54-5
1 ,2 ,4 ,6 ,7 -P e C D F 83704-50-1
1 ,2 ,4 ,6 ,8 -P e C D F 69698-57-3
1 ,2 ,4 ,6 ,9 -P e C D F 70648-24-7
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
DRAFT--DO NOT QUOTE OR CITE
Table A-1 (continued)
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
(2.7E-09)
25
Ref. 21
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
(3.6E-09)
25
21
Log Ko,,
Valuea
Ref.
6.53 6.79
10 10
Log Koc
Valuea
Ref.
(2.2E-09)
25
21
6.26 6.33
10 10
(1.7E-09)2 .7 2 E -0 9 [1.7E-09]
25
21,33 [21]
6.79
10
(3.5E-09) (2.3E-09)
25 25
21 21
A -1 0
6.27 6.34 6.59
December 2003
10 10 10
Congener
CAS No.
1,2,4,7,8-PeCDF 58802-15-6
1,2,4,7,9-PeCDF 71998-74-8
1,2,4,8,9-PeCDF 70648-23-6
1,2,6,7,8-PeCDF 69433-00-7
1,2,6,7,9-PeCDF 70872-82-1
1 ,3 ,4 ,6 ,7 -P e C D F 83704-36-3
1 ,3 ,4 ,6 ,8 -P e C D F 83704-55-6
1 ,3 ,4 ,6 ,9 -P e C D F 70648-15-6
1 ,3 ,4 ,7 ,8 -P e C D F 58802-16-7
1 ,3 ,4 ,7 ,9 -P e C D F 70648-20-3
1 ,3 ,6 ,7 ,8 -P e C D F 70648-21-4
1 ,4 ,6 ,7 ,8 -P e C D F 83704-35-2
2 ,3 ,4 ,6 ,7 -P e C D F 571 17-43-8
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
DRAFT--DO NOT QUOTE OR CITE
Table A-1 (continued)
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
( 1 .5E-09)
25
Ref. 21
(2.6E-09)
25
21
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
Log Ko,,
Valuea 6.26
Ref. 10
6.19
10
Log Koc
Valuea
Ref.
( 1 .9E-09)
25
21
(2.7E-09)
25
21
(4.3E-09)
25
21
6.42 6.51 6.19 6.24 6.34
10 10 10 10 10
6.33
10
(2.4E-09)
25
21
A-11
6.53 6.47
10 10
December 2003
Congener CAS No.
2 ,3 ,4 ,6 ,8 -P e C D F 67481-22-5
2 ,3 ,4 ,7 ,8 -P e C D F 57117-31-4
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
2 .3 6 E -0 4
22.7
11
Congener Group Average
(2.4E-04)
22.7
20
Table A-1 (continued)
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
( 1 .9E-09)
25
Ref. 21
(2.63E-09)3 .2 9 E -0 9 [2 .6 3 E -0 9 ]
(2.7E-09)
25 [25] 25
21,33 [53] 20
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
(4.98E-06) (5.0E-06)
53 20
Log Ko,,
Valuea 6.59
Ref. 10
6 .9 2 -(7 .8 2 ) [6.5] (6.4)
10,53 [53] 20
Log Koc
Valuea
Ref.
5.59(7.40)
53
DRAFT--DO NOT QUOTE OR CITE
A-12 December 2003
Congener CAS No.
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
1 ,2 ,3 ,4 ,6 ,7 HxCDF
79060-60-9
1 ,2 ,3 ,4 ,6 ,8 HxCDF
69698-60-8
1 ,2 ,3 ,4 ,6 ,9 HxCDF
91538-83-9
1 ,2 ,3 ,4 ,7 ,8 HxCDF
70648-26-9
1 ,2 ,3 ,4 ,7 ,9 HxCDF
91538-84-0
1 ,2 ,3 ,4 ,8 ,9 HxCDF
92341-07-6
1 ,2 ,3 ,6 ,7 ,8 HxCDF
571 17-44-9
1 ,2 ,3 ,6 ,7 ,9 HxCDF
92341-06-5
1 ,2 ,3 ,6 ,8 ,9 HxCDF
75198-38-8
8 .2 5 E -0 6
22.7
1 .77E-05
22.7
11 11
Table A-1 (continued)
Vapor Pressure
Henry's Law Constant
V a lu e a,b
Temp.
Valuea
(mm Hg)
(C)
Ref. (atm -m 3/m ol) Ref.
Hexachlorodibenzofurans (MW = 374.87)
(2.4E-10)
25
21
(2.2E-10)
25
21
(4.1E-10)
25
21
(2.4E-10)(6.7E-10) [2.4E-10]
(2.8E-10)
25
2 1 ,5 2 ,5 3
(1 .43E-05)
[25] [21,53] 25 21
19
Log Ko,,
Valuea
Ref.
(7.0)
53
Log Koc
Valuea
Ref.
(7.40)
53
(2.2E-10) (6.68E-10) [2.2E-10]
25 [25]
21,53 [21,53]
(6.1E-06)(7.31E-06) [7 .3 1 E -0 6 ]
19,53 [53]
(3.4E-10)
25
21
DRAFT--DO NOT QUOTE OR CITE
A-13 December 2003
Congener
CAS No.
1 ,2 ,3 ,7 ,8 ,9 HxCDF
72918-21-9
1 ,2 ,4 ,6 ,7 ,8 HxCDF
67562-40-7
1 ,2 ,4 ,6 ,7 ,9 HxCDF
75627-02-0
1 ,2 ,4 ,6 ,8 ,9 HxCDF
69698-59-5
1 ,3 ,4 ,6 ,7 ,8 HxCDF
71998-75-9
1 ,3 ,4 ,6 ,7 ,9 HxCDF
92341-05-4
2 ,3 ,4 ,6 ,7 ,8 HxCDF
60851-34-5
Congener Group Average
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
(1.3E-05)
22.7
20
1 ,2 ,3 ,4 ,6 ,7 ,8 HpCDF
67562-39-4
1 .35E -06
22.7
11
Table A-1 (continued)
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
(1.8E-10)
25
Ref. 21
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
(2.6E-10)
25
21
(5.7E-10)
25
21
(1 .8E-10)
25
21
(2.3E-10)
25
21
Log Ko,,
Valuea
Ref.
Log Koc
Valuea
Ref.
(2.0E-10)
25
21
(2.8E-10)
25
20
(1.1E-05)
Heptachlorodibenzofurans (MW = 409.31)
(3.5E-1 1)1.33E-10 [3.5E-11]
25 [25]
21,33 [21,53]
(1.41E-05)(5.3E-05) [1 .4 1 E -0 5 ]
20 (7.0)
19,53 [53]
7 .9 2 -(9 .2 5 ) [7.4]
20
10,53 [53]
6.00(7.90)
53
DRAFT--DO NOT QUOTE OR CITE
A-14 December 2003
Table A-1 (continued)
Congener CAS No.
1 ,2 ,3 ,4 ,6 ,7 ,9 HpCDF
70648-25-8 1 ,2 ,3 ,4 ,6 ,8 ,9 -
HpCDF 69698-58-4 1 ,2 ,3 ,4 ,7 ,8 ,9 -
HpCDF 55673-89-7 Congener Group
Average
1 ,2 ,3 ,4 ,6 ,7 ,8 ,9 OCDF
3 9 0 0 1 -0 2 -0
3,3',4,4'-T C B 32598-13-3
3,4,4',5-T C B 7 0362-60-4 (81)
2,3,3',4,4'-P eC B 32598-14-4
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
Ref.
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
Log Ko,,
Valuea
Ref.
(5.8E-1 1)
25
21
(4.7E-11)1.07E-10 [4.7E-11]
25 [25]
21,33 [21,53]
(1.4E-06)
22.7
20
(4.7E-1 1)
25
20
(1 .4E-05)
20
(7.4)
20
(1.16E-06)
25
Octachlorodibenzofurans (MW = 444.76)
11
(3.75E-12)
25
21
(1.88E-06)
19
(7.0)-(13)
8 ,2 6 ,2 9 ,5 3
[8.0]
[53]
Tetrachloro-PCB (MW = 291.99)
(5.5E-04)(1.7E-01) [1 .0 3 E -0 3 ]
25
1 2 ,1 3 ,1 7 ,2 8 ,3 5 ,3 8 ,4 0 ,4 4 ,5 6
[56]
1.37E-074 .4 7 E -0 7 [4 .4 7 E -0 7 ]
25
1 3 ,1 8 ,5 6 [56]
1.70E-05(1.0E-04) [1 .7 0 E -0 5 ]
1 3 ,3 5 ,3 9 , 56
[56]
5 .6 2 -6 .7 7 [6.5]
8 ,1 5 ,3 1 ,5 5 ,56 [56]
2 .9 2 E -0 3
25
17
(7.85E-07)
25
18
1 .2 8 E -0 4
41
(6.36)
15
(1.9E-03)(1.1E-02) [1 .9 0 E -0 3 ]
25
17,35,37,56 [35]
(8.28E-07)
Pentachloro-PCB (MW = 326.44)
25 18 (6.0E-05)(9.93E-05) [9 .9 3 E -0 5 ]
16,35 [35]
(6.3)-(6.6) [6.0]
1 5 ,3 7 ,5 5 , 56 [56]
Log Koc
Valuea
Ref.
5.00(6.70)
53
6.00(7.40)
53
(4.41)(5.75)
56
DRAFT--DO NOT QUOTE OR CITE
A-15 December 2003
Table A-1 (continued)
Congener CAS No.
2,3,4,4',5-PeC B 74472-37-0
2,3',4,4',5-P eC B 31508-00-6
3,3',4,4',5-P eC B 57465-28-8
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
(2.58E-03)(1.1E-02) [2 .5 8 E -0 3 ]
20-25 [20]
17,35,37,41 [41]
(1.59E-03)(1.1E-02) [1 .5 9 E -0 3 ]
20-25 [20]
17,35,37,41 [41]
(1 .03E-03)
25
17
2',3,4,4',5-P eC B 65510-44-3
(1.64E-03)
25
17
2 ,3 ,3 ',4 ,4 ',5 HxCB
38380-08-4
2 ,3 ,3 ',4 ,4 ',5 'HxCB
69782-90-7
2 ,3 ',4 ,4 ',5 ,5 'HxCB
52663-72-6
3 ,3 ',4 ,4 ',5 ,5 'HxCB
32774-16-6
(4.10E-04)(2.4E-03) [4 .1 0 E -0 4 ]
(3.61E-04)
20-25 [20] 25
(3.61E-04)(2.44E-03) [3 .6 1 E -0 4 ]
(3.61E-05)(2.5E-03) [3 .6 1 E -0 5 ]
25 25
17,37,41 [41] 17
17,37 [17] 17,35,37 [17]
2 ,3 ,3 ',4 ,4 ',5 ,5 'HpCB
39635-31-9
(4.5E-05)(5.3E-04) [6 .2 6 E -0 5 ]
25
17,35,37 [17]
Vapor Pressure
Henry's Law Constant
V a lu e a,b
Temp.
Valuea
(mm Hg)
(C)
Ref. (atm -m 3/m ol) Ref.
(4.18E-07)(1.43E-04) [4 .1 8 E -0 7 ]
20-25 [20]
18,41 [41]
6 .9 0 E -0 5 (1.4E-04) [6 .9 0 E -0 5 ]
16,35,41 [41]
(3.14E-07)(1.38E-06) [3 .1 4 E -0 7 ]
20-25 [20]
18,41 [41]
8 .5 0 E -0 5 4.0E-04
[8 .5 0 E -0 5 ]
16,35,41, 43 [41]
(2.19E-07)(3.72E-07) [2 .9 6 E -0 7 ]
25
18
(5.4E-05)-
16,35
(8.2E-05)
[18] [5.40E-05] [35]
(7.62E-07)(9.95E-07) [8 .7 8 E -0 7 ]
25
18
(1.74E-04)-
16,35
(2.62E-04)
[18] [1.74E-04] [35]
Hexachloro-PCB (MW = 360.88)
(1.47E-07)
25
18
(2.2E-05)
16,35,43
-8.7E-04
[8 .7 0 E -0 4 ]
[43]
(5.47E-08)(1.08E-07) [5 .4 7 E -0 8 ]
25
18
(6.6E-05)
16,35,43
-5.8E-04
[5 .8 0 E -0 4 ]
[43]
(1.46E-07)(1.95E-07) [1 .9 5 E -0 7 ]
25
18
(1.1E-04)-
16,35
(1.2E-04)
[1 .1 0 E -0 4 ]
[35]
(8.1E-09)-
25
56
(1 .6E-05)-
1 6 ,3 5 ,5 6
(3.5E-07)
(6.5E-05)
[1 .8 1 E -0 7 ]d
[6 .5 2 E -0 5 ]
[35]
Heptachloro-PCB (M W = 396.33)
(1.19E-08)-
25
18
(6.6E-05)
35
(1.73E-08)
[1 .3 1 E -0 8 ]
Log Ko,,
Valuea
(6.3)-(6.65)
[6.65] (6.2)-7.12
[7.12] (6.26)(6.89) [6.89] (6.74)
Ref. 15,37
[15] 1 5 ,3 1 ,3 7 ,
55 [31] 15,37
[15] 15
(6.64)(7.16) [7.16]
7 .1 8 -(7 .2 0 )
[7.19]
(6.64)(7.27) [7.09]
(6.64)-7.46 [7.46]
14,15,37
[14] 14,15
[14] 14,15,37
[14] 14,15,37,
56 [14]
(7.0)-(7.71) [7.71]
15,37 [15]
DRAFT--DO NOT QUOTE OR CITE
A-16 December 2003
Log Koc
Valuea
Ref.
(5.7)
42
(6.60)
56
Table A-1 (continued)
Congener
CAS No.
2 ,2 ',3 ,3 ',4 ,4 ',5 HpCB
35065-30-6
2 ,2 ',3 ,4 ,4 ',5 ,5 'HpCB
35069-29-3
W ater Solubility
V a lu e a,c (mg/l)
Temp. (C)
Ref.
(1.19E-04)(5.21E-04) [2 .2 7 E -0 4 ]
20-25 [20]
17,35,37,41 [41]
(2.25E-04)(4.40E-04) [4 .4 0 E -0 4 ]
20-25 [20]
17,35,37,41 [41]
Vapor Pressure
V a lu e a,b (mm Hg)
Temp. (C)
Ref.
(6.46E-09)8 .6 0 E -0 9 [6 .4 6 E -0 9 ]
20-25 [25]
18,41 [41]
3 .3 9 E -0 8 (2.72E-07) [2 .7 2 E -0 7 ]
20-25 [25]
18,41 [41]
Henry's Law Constant
Valuea (atm -m 3/m ol)
Ref.
(1.50E-05)(8.73E-05) [1 .5 0 E -0 5 ]
35,41 [41]
(3.20E-05)(1.07E-04) [3 .2 0 E -0 5 ]
35,41 [41]
Log Ko,,
Valuea
(7.03)(7.27) [7.27]
(6.70)(7.36) [7.36]
Ref.
15,37,42, 56 [15]
15,37,42, 56 [15]
Log Koc
Valuea 5 .5 -6 .8
Ref. 4 2 ,5 6
5.1-7.4
4 2 ,5 6
F ootnote R eferences
a Values are presented as th e y appeared in the referenced article. Values in ( ) are either estim ated or are ca lcu late d /e xtra p o la ted fro m experim ental values. b [R] is the ranking o f the value fro m th e cited reference. c For several PCB congeners, subcooled liquid values w ere converted to solid values using th e m elting p oints presented in th is table and the conversion m eth o d o lo gy presented in Eitzer and Hites (1988)
and M ackay et al. (19 9 2 ). d The selected vapor pressure value fo r PCB-169 is the m idp o in t o f the range o f calculated values.
ln (PsC/Ps) = 6 .7 9 (Tm-T)/T
where:
Psc = subcooled value Ps = solid value Tm = m elting point (K) T = ambient tem perature (K)
1. M arple et al. (1986a) 2. USEPA (1990) 3. Podoll et al. (1986) 4. M arple et al. (1986b) 5. Shiu et al. (1988) 6. Friesen et al. (1985) 7. W ebster et al. (19 8 5 ) 8. Burkhard and Kuehl (1986) 9. Rordorf (1987) 10. Sijm et al. (1989) 11. Friesen et al. (1990b) 12. D ickhut et al. (1986)
20. Average o f all selected and single values w ith in a congener group 21. Rordorf (1989) 22. Dulin et al. (1986) 23. Choudhry and W ebster (1987) 24. Choudhry and W ebster (1989) 25. C houdhry et al. (1990) 26. Sarna et al. (1984) 27. Adam s and Blaine (1986) 28. M ackay et al. (1980) 29. Doucette and Andren (1988a) 3 0 . O rth et al. (19 8 9 ) 31. Rapaport and Eisenreich (1984)
3 9 . D unnivant et al. (1988) 4 0 . O pperhuizen et al. (1988) 4 1 . M urphy et al. (1987) 4 2 . EPRI (1990) 4 3 . M urphy et al. (1983) 4 4 . Y a lko w sky et al. (1983) 4 5 . W ebster et al. (19 8 6 ) 46. Doucette and Andren (1988b) 47. W alters and Guiseppi-Elie (1988) 4 8 . Jackson et al. (1986) 4 9 . Puri et al. (1989) 5 0 . M arple et al. (1987)
DRAFT--DO NOT QUOTE OR CITE
A-17 December 2003
13. Dunnivant and Elzerman (1988) 14. Risby et al. (1990) 15. Hawker and Connell (1988) 16. Sabljic and Gusten (1989) 17. Abram ow itz and Yalkowsky (1990) 18. Foreman and Bidleman (1985) 19. Calculated by the VP/WS ratio technique
Table A-1 (continued)
32. Lodge and Cook (1989) 33. Eitzer and Hites (1988) 34. Rordorf (1985) 3 5 . D unnivant et al. (1992) 36. Lodge (1989) 37. Patii (1991) 38. Nirmalakhandan and Speece (1989)
5 1 . Santl et al. (1994) 5 2 . Rordorf et al. (1990) 5 3 . M ackay et al. (1992a) 54. Eitzer and Hites (1989) 5 5 . Sacan and Inel (1995) 5 6 . M ackay, et al. (1992b) 5 7 . W alters et al. (1989)
DRAFT--DO NOT QUOTE OR CITE
A-18 December 2003
Table A-1 (continued)
Table A-2. Rankings for the P-Chem Property Literature
Reference Number
1 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27
W ater Solubility
2
2 2 2
2 1 1
5
5
2
Ranking3
Vapor Pressure
Henry's Constant
Log Kow
24 1
41
2 2&4
24 4
1& 2
4
2&4 5
2&4
2 3
2&5 5
5 55
5
DRAFT--DO NOT QUOTE OR CITE
A-19
Photo Log Quantum Koc Yield
5 2 2 2 2
December 2003
Table A-2 (continued)
Reference Number
1 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52
W ater Solubility
2 5
5 2 5 5 2 2
5 2
1 2
Rankinga
Vapor Pressure
Henry's Constant
Log Kow
5 4 4 4 5 5 2 24 4
1 2 4
DRAFT--DO NOT QUOTE OR CITE
A-20
Photo Log Quantum Koc Yield
2 1
4 2 1 1 2 1
December 2003
Table A-2 (continued)
Reference Number
1 54 55 57
W ater Solubility
2
Rankinga
Vapor Pressure
Henry's Constant
Log Kow
4 4
Photo Log Quantum Koc Yield
1
Footnote References
a P-chem properties w ith tw o ranks indicates that some of the values for the chemicals in the reference had been verified by another laboratory, and some values have not been verified yet. It also indicates that more than one methodology may have been used in the reference to determine the p-chem property.
1. Marple et al. (1986a) 3. Podoll et al. (1986) 4. Marple et al. (1986b) 5. Shiu et al. (1988) 6. Friesen et al. (1985) 7. Webster et al. (1985) 8. Burkhard and Kuehl (1986) 9. Rordorf (1987) 10. Sijm et al. (1989) 11. Friesen et al. (1990) 12. Dickhut et al. (1986) 13. Dunnivant and Elzerman (1988) 14. Risby et al. (1990) 15. Hawker and Connell (1988) 16. Sabljic and Gunsten (1989) 17. Abram owitz and Yalkowsky (1990) 18. Foreman and Bidleman (1985) 19. Calculated by the VP/WS ratio technique 20. Average of all literature values
(measured and calculated) w ithin a congener group. 21. Rordorf (1989) 22. Dulin et al. (1986) 23. Choudhry and Webster (1987) 24. Choudhry and Webster (1989) 25. Choudhry et al. (1990) 26. Sarna et al. (1984) 27. Adams and Blaine (1986) 28. Mackay et al. (1980) 29. Doucette and Andren (1988)
30. Orth et al. (1989) 31. Rapaport and Eisenreich (1984) 32. Lodge and Cook (1989) 33. Eitzer and Hites (1988) 34. Rordorf (1985) 35. Dunnivant et al. (1992) 36. Lodge (1989) 37. Patil (1991) 38. Nirmalakhandan and Speece (1989) 39. Dunnivant et al. (1988) 40. Opperhuizen et al. (1988) 41. Murphy et al. (1987) 42. EPRI (199) 43. Murphy et al. (1983) 44. Yalkowsky et al. (1983) 45. Webster et al. (1986) 46. Doucette and Andren (1988) 47. Walters and Guiseppi-Elie (1988)
48. Jackson et al. (1986) 49. Puri et al. (1989) 50. Marple et al. (1987) 51. Santl et al. (1994) 52. Rordorf et al. (1990) 53. Mackay et al. (1992a) 54. Eitzer and Hites (1989) 55. Sacan and Inel (1995) 56. Mackay et al. (1992b) 57. Walters et al. (1989)
DRAFT--DO NOT QUOTE OR CITE
A-21
December 2003