2-Ethylhexyl 2,3,4,5-tetrabromobenzoate
- SMILES
- CCCCC(CC)COC(=O)C1=CC(=C(C(=C1Br)Br)Br)Br
- CAS number
- 183658-27-7
- Formula
- C15 H18 Br4 O2
- Molecular weight
- Melting point
-
- Entropy of fusion
-
|
not specified
|
ΔfusS/J K-1 mol-1
|
|
Vapor pressure
| t/°C |
PS/Pa |
PL/Pa |
log (PL/Pa) |
method and notes |
reference |
| 25 |
4.58E-6 |
1.73E-4 |
-3.76 |
EPI Suite estimation |
|
|
3.71E-7 |
|
|
|
1 |
| 25 |
|
3.98E-4 |
-3.4 |
SPARC |
2 |
| 25 |
|
3.16E-7 |
-6.5 |
Absolv |
2 |
Water solubility
| t/°C |
SWS/mol m-3 |
SWL/mol m-3 |
log (SWL/mol m-3) |
method and notes |
reference |
| not specified |
Henry's law constant
| t/°C |
H/Pa m3 mol-1 |
KAW |
log (KAW) |
method and notes |
reference |
| 25 |
|
2.60E-4 |
-3.58 |
EPI Suite estimation |
|
| 25 |
|
2.00E-4 |
-3.7 |
SPARC |
2 |
| 25 |
|
2.51E-4 |
-3.6 |
Absolv |
2 |
Octanol-water partition ratio
| t/°C |
KOW |
log (KOW) |
method and notes |
reference |
| 25 |
5.62E+8 |
8.75 |
EPI Suite estimation |
|
|
5.37E+7 |
7.73 |
|
1 |
| 25 |
2.00E+8 |
8.3 |
SPARC |
2 |
| 25 |
6.31E+8 |
8.8 |
Absolv |
2 |
Octanol-air partition ratio
| t/°C |
KOA |
log (KOA) |
method and notes |
reference |
| 25 |
2.16E+12 |
12.3 |
EPI Suite estimation |
|
| 25 |
1.00E+12 |
12 |
SPARC |
2 |
| 25 |
2.51E+12 |
12.4 |
Absolv |
2 |
Half-life for degradation in air
| t/°C |
half-life/day |
method and notes |
reference |
| 25 |
1.0 |
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.
- EFSA report
- 2.
- Zhang et al., Chemosphere 144 (2016) 2401-2408
