Tetrabromobisphenol A

Tetrabromobisphenol A
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br
CAS number
79-94-7
Formula
C15 H12 Br4 O2
Molecular weight
543.88g/mol
Melting point
not specified  tM/°C
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 4.61E-9 1.95E-7 -6.71 EPI Suite estimation
25 7.94E-4 -3.1 SPARC 1
25 2.00E-8 -7.7 Absolv 1

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 9.44E-12 -11 EPI Suite estimation
25 5.01E-6 -5.3 SPARC 1
25 2.51E-7 -6.6 Absolv 1
25 5.89E-9 -8.23 2

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 1.58E+7 7.2 EPI Suite estimation
25 3.16E+7 7.5 SPARC 1
25 3.98E+8 8.6 Absolv 1
25 3.39E+6 6.53 2
25 7.94E+5 5.9 3
25 2.51E+6 6.4 3
25 3.47E+4 4.54 4
25 1.05E+8 8.02 4

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 1.68E+18 18.2 EPI Suite estimation
25 6.31E+12 12.8 SPARC 1
25 1.58E+15 15.2 Absolv 1

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 3.6 EPI Suite estimation

Half-life for degradation in water

t/°C half-life/day method and notes reference
25 180 EPI Suite estimation

Half-life for degradation in soil

t/°C half-life/day method and notes reference
25 360 EPI Suite estimation

Half-life for degradation in sediment

t/°C half-life/day method and notes reference
25 1621 EPI Suite estimation

References

1.
Zhang et al., Chemosphere 144 (2016) 2401-2408
2.
Kuramochi et al., 2008
3.
ECB (2006)
4.
OECD eChemPortal