benzo(g,h,i)perylene
- SMILES
- C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2
- CAS number
- 191-24-2
- Formula
- C22 H12
- Molecular weight
- Melting point
-
- Entropy of fusion
-
|
31.7
|
ΔfusS/J K-1 mol-1
|
reference 1
|
Vapor pressure
| t/°C |
PS/Pa |
PL/Pa |
log (PL/Pa) |
method and notes |
reference |
| 25 |
1.17E-7 |
8.11E-6 |
-5.09 |
EPI Suite estimation |
|
| 25 |
|
6.17E-7 |
-6.21 |
Literature-derived value (LDV) |
1 |
| 25 |
|
4.57E-7 |
-6.34 |
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 |
|
8.13E-6 |
-5.09 |
Literature-derived value (LDV) |
1 |
| 25 |
|
1.10E-5 |
-4.96 |
Final adjusted value (FAV) |
1 |
Henry's law constant
| t/°C |
H/Pa m3 mol-1 |
KAW |
log (KAW) |
method and notes |
reference |
| 25 |
|
5.36E-6 |
-5.27 |
EPI Suite estimation |
|
| 25 |
|
1.35E-5 |
-4.87 |
Literature-derived value (LDV) |
1 |
| 25 |
|
1.70E-5 |
-4.77 |
Final adjusted value (FAV) |
1 |
Octanol-water partition ratio
| t/°C |
KOW |
log (KOW) |
method and notes |
reference |
| 25 |
5.01E+6 |
6.7 |
EPI Suite estimation |
|
| 25 |
3.98E+6 |
6.6 |
Literature-derived value (LDV) |
1 |
| 25 |
4.27E+6 |
6.63 |
Final adjusted value (FAV) |
1 |
Octanol-air partition ratio
| t/°C |
KOA |
log (KOA) |
method and notes |
reference |
| 25 |
9.35E+11 |
12 |
EPI Suite estimation |
|
| 25 |
3.55E+12 |
12.6 |
Literature-derived value (LDV) |
1 |
| 25 |
3.55E+12 |
12.6 |
Final adjusted value (FAV) |
1 |
Half-life for degradation in air
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
0.2 |
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.
