benzo(b)fluoranthene
- SMILES
- C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1
- CAS number
- 205-99-2
- Formula
- C20 H12
- Molecular weight
- Melting point
-
- Entropy of fusion
-
57.9
|
ΔfusS/J K-1 mol-1
|
reference 1
|
Vapor pressure
t/°C |
PS/Pa |
PL/Pa |
log (PL/Pa) |
method and notes |
reference |
25 |
3.32E-6 |
1.73E-3 |
-2.76 |
EPI Suite estimation |
|
25 |
|
1.10E-5 |
-4.96 |
Literature-derived value (LDV) |
1 |
25 |
|
1.05E-5 |
-4.98 |
Final adjusted value (FAV) |
1 |
Water solubility
t/°C |
SWS/mol m-3 |
SWL/mol m-3 |
log (SWL/mol m-3) |
method and notes |
reference |
25 |
|
1.51E-4 |
-3.82 |
Literature-derived value (LDV) |
1 |
25 |
|
1.58E-4 |
-3.8 |
Final adjusted value (FAV) |
1 |
Henry's law constant
t/°C |
H/Pa m3 mol-1 |
KAW |
log (KAW) |
method and notes |
reference |
25 |
|
5.74E-5 |
-4.24 |
EPI Suite estimation |
|
25 |
|
2.69E-5 |
-4.57 |
Literature-derived value (LDV) |
1 |
25 |
|
2.63E-5 |
-4.58 |
Final adjusted value (FAV) |
1 |
Octanol-water partition ratio
t/°C |
KOW |
log (KOW) |
method and notes |
reference |
25 |
1.29E+6 |
6.11 |
EPI Suite estimation |
|
25 |
6.76E+5 |
5.83 |
Literature-derived value (LDV) |
1 |
25 |
7.24E+5 |
5.86 |
Final adjusted value (FAV) |
1 |
Octanol-air partition ratio
t/°C |
KOA |
log (KOA) |
method and notes |
reference |
25 |
2.24E+10 |
10.4 |
EPI Suite estimation |
|
25 |
2.19E+11 |
11.3 |
Literature-derived value (LDV) |
1 |
25 |
2.00E+11 |
11.3 |
Final adjusted value (FAV) |
1 |
Half-life for degradation in air
t/°C |
half-life/day |
method and notes |
reference |
25 |
0.6 |
EPI Suite estimation |
|
Half-life for degradation in water
t/°C |
half-life/day |
method and notes |
reference |
25 |
60 |
EPI Suite estimation |
|
Half-life for degradation in soil
t/°C |
half-life/day |
method and notes |
reference |
25 |
120 |
EPI Suite estimation |
|
Half-life for degradation in sediment
t/°C |
half-life/day |
method and notes |
reference |
25 |
542 |
EPI Suite estimation |
|
References
- 1.
- Ma, Y.G., Lei, Y.D., Xiao, H., Wania, F., Wang, W. J. Chem. Eng. Data 2010, 55, 819-825.