Hexabromobenzene

Hexabromobenzene
SMILES
C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
CAS number
87-82-1
Formula
C6 Br6
Molecular weight
551.49g/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 2.24E-6 5.65E-3 -2.25 EPI Suite estimation
1.14E-4 1
25 3.16E-3 -2.5 SPARC 2
25 2.00E-5 -4.7 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 8.79E-4 -3.06 EPI Suite estimation
25 1.58E-3 -2.8 SPARC 2
25 6.31E-4 -3.2 Absolv 2
25 4.37E-3 -2.36 3
25 1.15E-3 -2.94 3
25 5.62E-5 -4.25 4

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 2.14E+7 7.33 EPI Suite estimation
1.29E+6 6.11 1
25 6.31E+6 6.8 SPARC 2
25 2.51E+6 6.4 Absolv 2
25 5.01E+6 6.7 3

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 1.34E+9 9.13 EPI Suite estimation
25 3.98E+9 9.6 SPARC 2
25 3.98E+9 9.6 Absolv 2

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 933 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
3.
Kuramochi et al., 2004a
4.
Tittlemier et al., 2002