Pentabromobenzene

Pentabromobenzene
SMILES
c1c(c(c(c(c1Br)Br)Br)Br)Br
CAS number
608-90-2
Formula
C6 H1 Br5
Molecular weight
472.59g/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 1.25E-3 0.0305 -1.52 EPI Suite estimation
25 0.0631 -1.2 SPARC 1
25 1.00E-3 -3 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 2.21E-3 -2.65 EPI Suite estimation
25 3.16E-3 -2.5 SPARC 1
25 1.58E-3 -2.8 Absolv 1

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 2.75E+6 6.44 EPI Suite estimation
25 7.94E+5 5.9 SPARC 1
25 6.31E+5 5.8 Absolv 1

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 1.24E+9 9.1 EPI Suite estimation
25 2.51E+8 8.4 SPARC 1
25 3.16E+8 8.5 Absolv 1

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 268 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