Pentabromoethylbenzene

Pentabromoethylbenzene
SMILES
CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
CAS number
85-22-3
Formula
C8 H5 Br5
Molecular weight
500.65g/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 6.20E-4 8.53E-3 -2.07 EPI Suite estimation
1.56E-4 1
25 6.31E-3 -2.2 SPARC 2
25 6.31E-5 -4.2 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 3.24E-3 -2.49 EPI Suite estimation
25 1.58E-3 -2.8 SPARC 2
25 3.98E-3 -2.4 Absolv 2

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 3.02E+7 7.48 EPI Suite estimation
5.75E+6 6.76 1
25 6.31E+6 6.8 SPARC 2
25 1.00E+7 7 Absolv 2

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 9.33E+9 9.97 EPI Suite estimation
25 3.16E+9 9.5 SPARC 2
25 2.00E+9 9.3 Absolv 2

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 9.3 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.
EFSA report
2.
Zhang et al., Chemosphere 144 (2016) 2401-2408