3,3'-Dichlorobiphenyl (PCB-11)
- SMILES
- c1ccc(Cl)cc1c2cc(Cl)ccc2
- CAS number
- 002050-67-1
- Formula
- C12H8Cl2
- Molecular weight
- Melting point
-
- Entropy of fusion
-
|
56
|
ΔfusS/J K-1 mol-1
|
reference 3
|
Vapor pressure
| t/°C |
PS/Pa |
PL/Pa |
log (PL/Pa) |
method and notes |
reference |
| 25 |
|
0.095 |
-1.02 |
EPI Suite estimation |
|
| 25 |
|
0.0865 |
-1.06 |
Bidleman, 1984 |
|
| 25 |
|
0.0952 |
-1.02 |
Bidleman, 1984 |
|
| 25 |
|
0.09 |
-1.05 |
Selected, Shiu & Mackay 1986 |
3 |
| 25 |
|
0.127 |
-0.896 |
QSAR estimate from consistent FAVs |
2 |
Water solubility
| t/°C |
SWS/mol m-3 |
SWL/mol m-3 |
log (SWL/mol m-3) |
method and notes |
reference |
| 25 |
|
2.67E-3 |
-2.57 |
EPI Suite estimation |
|
| 25 |
|
1.59E-3 |
-2.8 |
Yalkowsky & Dannenfelser, 1992 |
1 |
Henry's law constant
| t/°C |
H/Pa m3 mol-1 |
KAW |
log (KAW) |
method and notes |
reference |
| 25 |
23 |
9.28E-3 |
-2.03 |
EPI Suite estimation |
|
| 25 |
23.6 |
9.53E-3 |
-2.02 |
Dunnivant et al. 1988 |
1 |
| 25 |
|
6.46E-3 |
-2.19 |
QSAR estimate from consistent FAVs |
2 |
Octanol-water partition ratio
| t/°C |
KOW |
log (KOW) |
method and notes |
reference |
| 25 |
1.12E+5 |
5.05 |
EPI Suite estimation |
|
| 25 |
1.86E+5 |
5.27 |
Sangster, 1993 |
1 |
| 25 |
1.70E+5 |
5.23 |
QSAR estimate from consistent FAVs |
2 |
| 25 |
2.00E+5 |
5.3 |
Bruggeman et al. 1982 |
3 |
| 25 |
1.48E+5 |
5.17 |
Noegrohati & Hammers 1992 |
3 |
Octanol-air partition ratio
| t/°C |
KOA |
log (KOA) |
method and notes |
reference |
| 25 |
1.95E+7 |
7.29 |
EPI Suite estimation |
|
| 25 |
3.80E+7 |
7.58 |
QSAR estimate from consistent FAVs |
2 |
| 20 |
7.94E+7 |
7.9 |
Zhang et al. 1999 GC correlation |
3 |
Half-life for degradation in air
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
2.6 |
EPI Suite estimation |
|
|
8-17 |
Tropospheric lifetime based on reaction with ·OH, Atkinson 1987 |
3 |
|
3.4-7.2 |
Tropospheric lifetime based on reaction with ·OH, Kwok 1995 |
3 |
| 25 |
7.1 |
Estimated by half-life classification |
3 |
Half-life for degradation in water
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
38 |
EPI Suite estimation |
|
| 25 |
230 |
Estimated by half-life classification |
3 |
Half-life for degradation in soil
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
75 |
EPI Suite estimation |
|
| 25 |
710 |
Estimated by half-life classification |
3 |
Half-life for degradation in sediment
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
338 |
EPI Suite estimation |
|
| 25 |
710 |
Estimated by half-life classification |
3 |
References
- 1.
- EPI Suite experimental database http://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface
- 2.
- Schenker, U., MacLeod, M., Scheringer, M., Hungerbuehler, K. Environmental Science & Technology 2005, 39, 8434-8441.
- 3.
- Mackay, D., Shiu, W.Y., Ma, K., Lee, S.C. Handbook of physical-chemical properties and environmental fate for organic chemicals. Volume II. CRC Press. 2006.
