ID: | 156 | |
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Name: | 1,2,3,4-tetrabromo-5-(3,4-dibromophenoxy)benzene | |
Description: | Names, mol-files and InChI codes were generated with JChem for Excel | |
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/C12H4Br6O/c13-6-2-1-5(3-7(6)14)19-9-4-8(15)10(16)12(18)11(9)17/h1-4H |
LogH: Henry's law constant as logH [Pa.m3/mol] i
Value | Source or prediction |
---|---|
0.33 |
Tab2.M1: Model for polybrominated diphenyl ethers (Testing set (inside of the AD)) |
TM: Melting point [°C]
Value | Source or prediction |
---|---|
162.2 |
Tab2.M2: Model for polybrominated diphenyl ethers (Testing set (inside of the AD)) |
LogPL: Subcooled liquid vapour pressure as logPL [Pa] i
Value | Source or prediction |
---|---|
-5.44 |
Tab2.M3: Model for polybrominated diphenyl ethers (Testing set (inside of the AD)) |
LogSw: Water solubility as logSw [mol/L] i
Value | Source or prediction |
---|---|
-7.31 |
Tab2.M4: Model for polybrominated diphenyl ethers (Testing set (inside of the AD)) |
LogKoa: Octanol-air partition coefficient as logKoa
Value | Source or prediction |
---|---|
11.97 |
experimental value |
12.2 |
Tab2.M5: Model for polybrominated diphenyl ethers (Training set) |
LogKow: Octanol-water partition coefficient as logKow
Value | Source or prediction |
---|---|
7.73 |
Tab2.M6: Model for polybrominated diphenyl ethers (Testing set (inside of the AD)) |
Link | Resource description |
---|---|
DTXSID20786910 | US EPA CompTox Dashboard |