Pentabromotoluene

Pentabromotoluene
SMILES
CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
CAS number
87-83-2
Formula
C7 H3 Br5
Molecular weight
486.62g/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 1.95E-5 0.0161 -1.79 EPI Suite estimation
6.00E-4 1
25 0.0158 -1.8 SPARC 2
25 1.00E-4 -4 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 2.44E-3 -2.61 EPI Suite estimation
25 1.58E-3 -2.8 SPARC 2
25 3.16E-3 -2.5 Absolv 2

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 9.77E+6 6.99 EPI Suite estimation
1.78E+6 6.25 1
25 2.51E+6 6.4 SPARC 2
25 2.51E+6 6.4 Absolv 2
25 2.69E+5 5.43 3

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 4.00E+9 9.6 EPI Suite estimation
25 1.58E+9 9.2 SPARC 2
25 7.94E+8 8.9 Absolv 2

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 58 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.
ECHA chemical registration database