Table A-1. P-Chem Properties for the Dioxin, Furan, and PCB Congeners

   
 

Water

   

Vapor

   

Henry's

Henry's

 

Log

 

Log

Photo

Photo

Chemical

Solubility

WS

WS

Pressure

VP

VP

Constant

Constant

Log

Kow

Log

Koc

Quantum

Quant.

Yield

CAS No.

mg/la

Temp.

Ref.

mm Hga

Temp.

Ref.

atm-m3/mola

Ref.

Kowa

Ref.

Koca

Ref.

Yielda

Ref.

Tetrachlorodibenzo-p-dioxins (MW=321.98)

1,2,3,4-TCDD

30746-58-8

4.70E-07-6.30E-04

25

5,38,46

1.81E-08-

4.80E-08

25

9,33

(3.7E-05)

5

(5.9)-(8.8)

5,7,8,10,26,29

       

1,2,3,6-TCDD

71669-25-5

               

6.86

10

       

1,2,3,7-TCDD

67028-18-6

4.30E-04

20

6

(7.5E-09)

25

9

(7.4E-06)

19

6.48-

(8.5)

7,8,10,

26

5.97

45

5.42E-04c

24

1,2,3,8-TCDD

53555-02-5

               

6.48

10

       

1,2,3,9-TCDD

71669-26-6

               

6.39

10

       

1,2,4,6-TCDD

71669-27-7

               

6.10

10

       

1,2,4,7-TCDD

71669-28-8

               

6.25

10

       

1,2,4,8-TCDD

71669-29-9

               

6.25

10

       

1,2,4,9-TCDD

71665-99-1

               

6.10

10

       

1,2,6,7-TCDD

40581-90-6

                           

1,2,6,8-TCDD

67323-56-2

               

6.43

10

       

1,2,6,9-TCDD

40581-91-7

                           

1,2,7,8-TCDD

34816-53-0

               

6.38

10

       

1,2,7,9-TCDD

71669-23-3

               

6.86

10

       

1,2,8,9-TCDD

62470-54-6

                           

1,3,6,8-TCDD

33423-92-6

3.20E-04-(6.0E-04)

20-25

6,7,38

(5.2E-09)-4.03E-06

20-25

7,9

6.81E-05

7

6.29-

(9.0)

7,8,10,

26

   

2.17E-03c

24

1,3,6,9-TCDD

71669-24-4

               

6.25

10

       

1,3,7,8-TCDD

50585-46-1

     

(6.3E-09)

25

9

   

6.30

10

       

1,3,7,9-TCDD

62470-53-5

               

6.39-

7.06

8,10

       

1,4,6,9-TCDD

40581-93-9

               

6.38

10

       

1,4,7,8-TCDD

40581-94-0

               

6.39

10

       

2,3,7,8-TCDD

1746-01-6

7.91E-06-

4.83E-04

17-22

1,2,27,

36,50

7.40E-10-

3.38E-08

25

2,3,9,34

(1.6E-05)

2,3

6.42-

(7.0)

2,4,8,1050

5.68-7.42

32,47

48,49

50

2.2E-03b-3.3E-02d

22,30

Congener Group Average

(3.5E-04)

25

20

(8.1E-07)

25

20

(3.2E-05)

20

(6.4)

20

(6.2)

20

   

Pentachlorodibenzo-p-dioxins (MW=356.42)

1,2,3,4,6-PeCDD

67028-19-7

               

6.30

10

       

1,2,3,4,7-PeCDD

39227-61-7

1.20E-04-(1.7E-04)

20-25

6,38

(6.6E-10)

25

9

(2.6E-06)

19

6.60-(9.7)

7,8,10,

26

5.68

45

9.8E-05c

23

1,2,3,6,7-PeCDD

71925-15-0

               

6.74

10

       

1,2,3,6,8-PeCDD

71925-16-1

               

6.53

10

       

1,2,3,6,9-PeCDD

82291-34-7

               

6.24

10

       

1,2,3,7,8-PeCDD

40321-76-4

     

(4.4E-10)-9.48E-10

25

9,33

   

6.64

10

       

1,2,3,7,9-PeCDD

71925-17-2

               

6.40

10

       

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

               

6.60

10

       

1,2,4,7,8-PeCDD

58802-08-7

     

(5.8E-10)

25

9

   

6.20

10

       

1,2,4,7,9-PeCDD

82291-37-0

                           

1,2,4,8,9-PeCDD

82291-38-1

                           

Congener Group Average

(1.2E-04)

20

20

(7.3E-10)

25

20

(2.6E-06)

20

(6.6)

20

(5.7)

20

   

Hexachlorodibenzo-p-dioxins (MW=390.87)

1,2,3,4,6,7-HxCDD

58200-66-1

                           

1,2,3,4,6,8-HxCDD

58200-67-2

               

6.85

10

       

1,2,3,4,6,9-HxCDD

58200-68-3

                           

1,2,3,4,7,8-HxCDD

39227-28-6

4.40E-06

20

6

(3.8E-11)-1.01E-10

25

9,33

(1.2E-05)

19

7.79-(11)

7,8,26

5.92

45

1.1E-04c

23

1,2,3,6,7,8-HxCDD

57653-85-7

     

(3.6E-11)

25

9

               

1,2,3,6,7,9-HxCDD

64461-98-9

               

7.59

10

       

1,2,3,6,8,9-HxCDD

58200-69-4

               

7.59

10

       

1,2,3,7,8,9-HxCDD

19408-74-3

     

(4.9E-11)

25

9

               

1,2,4,6,7,9-HxCDD

39227-62-8

     

(5.1E-11)

25

9

   

6.85

10

       

1,2,4,6,8,9-HxCDD

58802-09-8

               

6.85

10

       

Congener Group Average

(4.4E-06)

20

20

(5.9E-11)

25

20

(1.2E-05)

20

(7.3)

20

(5.9)

20

   

Heptachlorodibenzo-p-dioxins (MW=425.31)

1,2,3,4,6,7,8-HpCDD

35822-46-9

2.40E-06

20

6

(5.6E-12)-3.21E-11

25

9,33

(7.5E-06)

19

8.20-(12)

7,8,26

   

1.53E-05c

23

1,2,3,4,6,7,9-HpCDD

58200-70-7

                           

Congener Group Average

(2.4E-06)

20

20

(3.2E-11)

25

20

(7.5E-06)

20

(8.2)

20

       

Octachlorodibenzo-p-dioxin (MW=460.76)

1,2,3,4,6,7,8,9-OCDD

3268-87-9

7.4E-08-4.00E-07

20-25

5,6,7

8.25E-13-6.54E-08

20-25

7,9,

33

(6.7E-06)

5

(7.5)-(13)

5,7,8,26,29

   

2.26E-05c

23

Tetrachlorodibenzofurans (MW=305.98)

1,2,3,4-TCDF

30402-14-3

     

(3.1E-08)

25

21

   

6.17

10

       

1,2,3,6-TCDF

83704-21-6

               

6.15

10

       

1,2,3,7-TCDF

83704-22-7

     

(3.2E-08)

25

21

               

1,2,3,8-TCDF

62615-08-1

     

(2.1E-08)

25

21

   

6.15

10

       

1,2,3,9-TCDF

83704-23-8

               

6.06

10

       

1,2,4,6-TCDF

71998-73-7

                           

1,2,4,7-TCDF

83719-40-8

                           

1,2,4,8-TCDF

64126-87-0

     

(2.2E-08)

25

21

   

6.31

10

       

1,2,4,9-TCDF

83704-24-9

                           

1,2,6,7-TCDF

83704-25-0

     

(2.0E-08)

25

21

   

6.25

10

       

1,2,6,8-TCDF

83710-07-0

                           

1,2,6,9-TCDF

70648-18-9

                           

1,2,7,8-TCDF

58802-20-3

     

(1.8E-08)

25

21

   

6.23

10

       

1,2,7,9-TCDF

83704-26-1

     

(2.5E-08)

25

21

   

6.25

10

       

1,2,8,9-TCDF

70648-22-5

                           

1,3,4,6-TCDF

83704-27-2

               

6.31

10

       

1,3,4,7-TCDF

70648-16-7

               

6.23

10

       

1,3,4,8-TCDF

92341-04-3

               

6.13

10

       

1,3,4,9-TCDF

83704-28-3

               

5.89

10

       

1,3,6,7-TCDF

57117-36-9

     

(2.8E-08)

25

21

               

1,3,6,8-TCDF

71998-72-6

     

(2.7E-08)

25

21

   

6.37

10

       

1,3,6,9-TCDF

83690-98-6

                           

1,3,7,8-TCDF

57117-35-8

               

6.34

10

       

1,3,7,9-TCDF

64560-17-4

     

(1.9E-08)

25

21

   

6.34

10

       

1,4,6,7-TCDF

66794-59-0

     

(2.6E-08)

25

21

   

6.15

10

       

1,4,6,8-TCDF

82911-58-8

                           

1,4,6,9-TCDF

70648-19-0

               

5.60

10

       

1,4,7,8-TCDF

83704-29-4

                           

1,6,7,8-TCDF

83704-33-0

               

6.17

10

       

2,3,4,6-TCDF

83704-30-7

     

(4.0E-08)

25

21

   

6.11

10

       

2,3,4,7-TCDF

83704-31-8

     

(2.9E-08)

25

21

   

6.06

10

       

2,3,4,8-TCDF

83704-32-9

     

(2.8E-08)

25

21

               

2,3,6,7-TCDF

57117-39-2

     

(2.1E-08)

25

21

   

6.31

10

       

2,3,6,8-TCDF

57117-37-0

     

(2.0E-08)

25

21

   

6.73

10

       

2,3,7,8-TCDF

51207-31-9

4.19E-04

22.7

11

8.96E-09-(1.5E-08)

25

21,33

(8.6E-06)

19

5.82-6.53

8,10

       

2,4,6,7-TCDF

57117-38-1

     

(3.3E-08)

25

21

   

6.25

10

       

2,4,6,8-TCDF

58802-19-0

     

(2.0E-08)

25

21

   

6.17

10

       

3,4,6,7-TCDF

57117-40-5

                           

Congener Group Average

(4.2E-04)

22.7

20

(2.5E-08)

25

20

(8.6E-06)

20

(6.2)

20

       

Pentachlorodibenzofurans (MW=340.42)

1,2,3,4,6-PeCDF

83704-47-6

     

(2.7E-09)

25

21

               

1,2,3,4,7-PeCDF

83704-48-7

               

6.53

10

       

1,2,3,4,8-PeCDF

67517-48-0

     

(3.6E-09)

25

21

   

6.79

10

       

1,2,3,4,9-PeCDF

83704-49-8

                           

1,2,3,6,7-PeCDF

57117-42-7

     

(2.2E-09)

25

21

   

6.26

10

       

1,2,3,6,8-PeCDF

83704-51-2

               

6.33

10

       

1,2,3,6,9-PeCDF

83704-52-3

                           

1,2,3,7,8-PeCDF

57117-41-6

     

(1.7E-09)-2.72E-09

25

21,33

   

6.79

10

       

1,2,3,7,9-PeCDF

83704-53-4

                           

1,2,3,8,9-PeCDF

83704-54-5

                           

1,2,4,6,7-PeCDF

83704-50-1

     

(3.5E-09)

25

21

   

6.27

10

       

1,2,4,6,8-PeCDF

69698-57-3

     

(2.3E-09)

25

21

   

6.34

10

       

1,2,4,6,9-PeCDF

70648-24-7

               

6.59

10

       

1,2,4,7,8-PeCDF

58802-15-6

     

(1.5E-09)

25

21

   

6.26

10

   

1.30E-02b

25

1,2,4,7,9-PeCDF

71998-74-8

     

(2.6E-09)

25

21

   

6.19

10

       

1,2,4,8,9-PeCDF

70648-23-6

                           

1,2,6,7,8-PeCDF

69433-00-7

     

(1.9E-09)

25

21

   

6.42

10

       

1,2,6,7,9-PeCDF

70872-82-1

               

6.51

10

       

1,3,4,6,7-PeCDF

83704-36-3

     

(2.7E-09)

25

21

   

6.19

10

       

1,3,4,6,8-PeCDF

83704-55-6

               

6.24

10

       

1,3,4,6,9-PeCDF

70648-15-6

               

6.34

10

       

1,3,4,7,8-PeCDF

58802-16-7

     

(4.3E-09)

25

21

               

1,3,4,7,9-PeCDF

70648-20-3

               

6.33

10

       

1,3,6,7,8-PeCDF

70648-21-4

                           

1,4,6,7,8-PeCDF

83704-35-2

               

6.53

10

       

2,3,4,6,7-PeCDF

57117-43-8

     

(2.4E-09)

25

21

   

6.47

10

       

2,3,4,6,8-PeCDF

67481-22-5

     

(1.9E-09)

25

21

   

6.59

10

       

2,3,4,7,8-PeCDF

57117-31-4

2.36E-04

22.7

11

(2.6E-09)-3.29E-09

25

21,33

(6.2E-06)

19

6.92

10

       

Congener Group Average

(2.4E-04)

22.7

20

(2.7E-09)

25

20

(6.2E-06)

20

(6.4)

20

       

Hexachlorodibenzofurans (MW=374.87)

1,2,3,4,6,7-HxCDF

79060-60-9

     

(2.4E-10)

25

21

               

1,2,3,4,6,8-HxCDF

69698-60-8

     

(2.2E-10)

25

21

               

1,2,3,4,6,9-HxCDF

91538-83-9

     

(4.1E-10)

25

21

               

1,2,3,4,7,8-HxCDF

70648-26-9

8.25E-06

22.7

11

(2.4E-10)

25

21

(1.4E-05)

19

       

6.96E-04b

25

1,2,3,4,7,9-HxCDF

91538-84-0

     

(2.8E-10)

25

21

               

1,2,3,4,8,9-HxCDF

92341-07-6

                           

1,2,3,6,7,8-HxCDF

57117-44-9

1.77E-05

22.7

11

(2.2E-10)

25

21

(6.1E-06)

19

           

1,2,3,6,7,9-HxCDF

92341-06-5

                           

1,2,3,6,8,9-HxCDF

75198-38-8

     

(3.4E-10)

25

21

               

1,2,3,7,8,9-HxCDF

72918-21-9

     

(1.8E-10)

25

21

               

1,2,4,6,7,8-HxCDF

67562-40-7

     

(2.6E-10)

25

21

               

1,2,4,6,7,9-HxCDF

75627-02-0

     

(5.7E-10)

25

21

               

1,2,4,6,8,9-HxCDF

69698-59-5

     

(1.8E-10)

25

21

               

1,3,4,6,7,8-HxCDF

71998-75-9

     

(2.3E-10)

25

21

               

1,3,4,6,7,9-HxCDF

92341-05-4

                           

2,3,4,6,7,8-HxCDF

60851-34-5

     

(2.0E-10)

25

21

               

Congener Group Average

(1.3E-05)

22.7

20

(2.8E-10)

25

20

(1.0E-05)

20

           

Heptachlorodibenzofurans (MW=409.31)

1,2,3,4,6,7,8-HpCDF

67562-39-4

1.35E-06

22.7

11

(3.5E-11)-1.33E-10

25

21,33

(5.3E-05)

19

7.92

10

       

1,2,3,4,6,7,9-HpCDF

70648-25-8

                           

1,2,3,4,6,8,9-HpCDF

69698-58-4

     

(5.8E-11)

25

21

               

1,2,3,4,7,8,9-HpCDF

55673-89-7

     

(4.6E-11)-1.07E-10

25

21,33

               

Congener Group Average

(1.4E-06)

22.7

20

(9.9E-11)

25

20

(5.3E-05)

20

(7.9)

20

       

Octachlorodibenzofurans (MW=444.76)

1,2,3,4,6,7,8,9-OCDF

39001-02-0

(1.2E-06)

25

11

3.75E-12

25

21

(1.9E-06)

19

(7.0)-(13)

8,26,29

       

Tetrachloro-PCB (MW=291.99)

3,3',4,4'-TCB

32598-13-3

(1.6E-06)

-(1.1E-02)

25

12,13,17,28,35,38,40,44

(7.5E-10)

-1.37E-07

25

13,18

9.40E-05-(1.0E-04)

13,35,39

5.62-6.21

8,15,31

       

3,4,4',5-TCB

70362-50-4

8.43E-06-

(2.9E-03)

25

17,41

(2.6E-10)-2.80E-10

25

18,41

1.28E-04-

(1.5E-04)

16,35,41

(6.4)

15

       

 

Pentachloro-PCB (MW=326.44)

2,3,3',4,4'-PeCB

32598-14-4

(1.9E-03)-

(1.1E-02)

25

17,35,37

(3.7E-09)

25

18

(6.0E-05)-(9.9E-05)

16,35

(6.3)-(6.6)

15,37

       

2,3,4,4',5-PeCB

74472-37-0

3.69E-06-(1.1E-02)

25

17,35,37,41

5.96E-10-(2.1E-09)

25

18,41

6.9E-05-(1.4E-04)

16,35,41

(6.3)-(6.6)

15,37

       

2,3',4,4',5-PeCB

31508-00-6

4.27E-06-(1.1E-02)

25

17,35,37,

41

8.45E-10-(2.7E-09)

25

18,41

8.5E-05-

4.0E-04

16,35,41,

43

(6.2)-7.12

15,31,37

(5.7)

42

   

3,3',4,4',5-PeCB

57465-28-8

(1.0E-03)

25

17

(2.9E-06)

25

18

(5.4E-05)-

(8.2E-05)

16,35

(6.9)

15

       

Hexachloro-PCB (MW=360.88)

2,3,3',4,4',5-HxCB

38380-08-4

7.44E-07-(2.4E-03)

25

17,37,41

(1.4E-06)

25

18

(2.2E-05)

-8.7E-04

16,35,43

(6.6)-(7.2)

14,15,37

       

2,3,3',4,4',5'-HxCB

69782-90-7

(3.6E-04)

25

17

(1.2E-06)

25

18

(6.6E-05)

-5.8E-04

16,35,43

7.16-(7.2)

14,15

       

2,3',4,4',5,5'-HxCB

52663-72-6

(3.6E-04)-

(2.4E-03)

25

17,37

(2.0E-06)

25

18

(1.1E-04)-

(1.2E-04)

16,35

(6.6)-(7.3)

14,15,37

       

3,3',4,4',5,5'-HxCB

32774-16-6

(3.6E-05)-

(2.5E-03)

25

17,35,37

(1.5E-06)

25

20

(5.9E-05)-

(6.5E-05)

16,35

(6.6)-7.47

14,15,37

       

Heptachloro-PCB (MW=396.33)

2,3,3',4,4',5,5'-HpCB

39635-31-9

(4.5E-05)-

(5.4E-04)

25

17,35,37

(3.0E-07)

25

18

(6.6E-05)

35

(7.0)-(7.7)

15,37

       

 

Footnote References

a Values are presented as they appeared in the referenced articles. Subcooled liquid values were converted to solid values (33). Values in () are calculated.

b Tested in solution of water:acetonitrile (1:1 v/v) at 313 nm.

c Tested in solution of water:acetonitrile (2:3 v/v) at 313 nm.

d Tested in vapor phase at 250-360 nm.

1. Marple et al. (1986a) 17. Abramowitz and Yalkowsky (1990) 33. Eitzer and Hites (1988)

2. USEPA (1990) 18. Foreman and Bidleman (1985) 34. Rordorf (1985)

3. Podoll et al. (1986) 19. Calculated by the VP/WS ratio technique 35. Dunnivant et al. (1992)

4. Marple et al. (1986b) 20. Average of all literature values (measured and calculated) within a congener group 36. Lodge (1989)

5. Shiu et al. (1988) 21. Rordorf (1989) 37. Patil (1991)

6. Friesen et al. (1985) 22. Dulin et al. (1986) 38. Nirmalakhandan and Speece (1989)

7. Webster et al. (1985) 23. Choudhry and Webster (1987) 39. Dunnivant et al. (1988)

8. Burkhard and Kuehl (1986) 24. Choudhry and Webster (1989) 40. Opperhuizen et al. (1988)

9. Rordorf (1987) 25. Choudhry et al. (1990) 41. Murphy et al. (1987)

10. Sijm et al. (1989) 26. Sarna et al. (1984) 42. EPRI (1990)

11. Friesen et al. (1990) 27. Adams and Blaine (1986) 43. Murphy et al. (1983)

12. Dickhut et al. (1986) 28. Mackay et al. (1980) 44. Yalkowsky et al. (1983)

13. Dunnivant and Elzerman (1988) 29. Doucette and Andren (1988a) 45. Webster et al. (1986)

14. Risby et al. (1990) 30. Orth et al. (1989) 46. Doucette and Andren (1988b)

15. Hawker and Connell (1988) 31. Rapaport and Eisenreich (1984) 47. Walters and Guiseppi-Elie (1988)

16. Sabljic and Gunsten (1989) 32. Lodge and Cook (1989) 48. Jackson et al. (1986)

49. Puri et al. (1989)

50. Marple et al. (1987)

Table A-2. Rankings for the P-Chem Property Literature

 

Rankinga

Reference

Water

Vapor

Henry's

Log

Log

Photo

Number

Solubility

Pressure

Constant

Kow

Koc

Quantum

Yield

1

2

         

3

 

2

4

     

4

     

1

   

5

2

 

4

1

   

6

2

         

7

2

2

2

4

   

8

     

4

   

9

 

2 & 5

       

10

     

1 & 2

   

11

2

         

12

1

         

13

1

4

2

     

14

     

3

   

15

     

2 & 5

   

16

   

5

     

17

5

         

18

 

5

       

19

   

5

     

20

5

5

5

5

5

 

21

 

2 & 5

       

22

         

2

23

         

2

24

         

2

25

         

2

26

     

5

   

27

2

         

28

5

         

29

     

5

   

30

         

2

31

     

4

   

32

       

1

 

33

 

4

       

34

 

4

       

35

5

 

5

     

36

2

         

37

5

   

5

   

38

5

         

39

   

2

     

40

2

         

41

2

2

4

     

42

       

4

 

43

   

4

     

44

5

         

45

       

2

 

46

2

         

47

       

1

 

48

       

1

 

49

       

2

 

50

1

   

1

1

 

 

Footnote References

a P-chem properties with two 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) 26. Sarna et al. (1984)

3. Podoll et al. (1986) 27. Adams and Blaine (1986)

4. Marple et al. (1986b) 28. Mackay et al. (1980)

5. Shiu et al. (1988) 29. Doucette and Andren (1988)

6. Friesen et al. (1985) 30. Orth et al. (1989)

7. Webster et al. (1985) 31. Rapaport and Eisenreich (1984)

8. Burkhard and Kuehl (1986) 32. Lodge and Cook (1989)

9. Rordorf (1987) 33. Eitzer and Hites (1988)

10. Sijm et al. (1989) 34. Rordorf (1985)

11. Friesen et al. (1990) 35. Dunnivant et al. (1992)

12. Dickhut et al. (1986) 36. Lodge (1989)

13. Dunnivant and Elzerman (1988) 37. Patil (1991)

14. Risby et al. (1990) 38. Nirmalakhandan and Speece (1989)

15. Hawker and Connell (1988) 39. Dunnivant et al. (1988)

16. Sabljic and Gunsten (1989) 40. Opperhuizen et al. (1988)

17. Abramowitz and Yalkowsky (1990) 41. Murphy et al. (1987)

18. Foreman and Bidleman (1985) 42. EPRI (1990)

19. Calculated by the VP/WS ratio technique 43. Murphy et al. (1983)

20. Average of all literature values (measured and calculated)

within a congener group. 44. Yalkowsky et al. (1983)

21. Rordorf (1989) 45. Webster et al. (1986)

22. Dulin et al. (1986) 46. Doucette and Andren (1988)

23. Choudhry and Webster (1987) 47. Walters and Guiseppi-Elie (1988)

24. Choudhry and Webster (1989) 48. Jackson et al. (1986)

25. Choudhry et al. (1990) 49. Puri et al. (1989)

50. Marple et al. (1987)