Octabromotrimethylphenyl indane

Octabromotrimethylphenyl indane
SMILES
CC1(c2c(c(c(c(c2Br)Br)Br)Br)C(C1(Br)Br)(C)c3cccc(c3Br)Br)C
CAS number
155613-93-7
Formula
C18 H12 Br8
Molecular weight
867.53g/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 1.50E-10 4.00E-8 -7.4 EPI Suite estimation
1.75E-12 1
25 3.98E-9 -8.4 SPARC 2
25 1.58E-14 -13.8 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 1.57E-6 -5.8 EPI Suite estimation
25 1.58E-6 -5.8 SPARC 2
25 7.94E-5 -4.1 Absolv 2

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 3.39E+12 12.5 EPI Suite estimation
25 1.29E+15 15.1 1
25 5.01E+11 11.7 SPARC 2
25 1.58E+13 13.2 Absolv 2

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 2.15E+18 18.3 EPI Suite estimation
25 3.98E+17 17.6 SPARC 2
25 2.00E+17 17.3 Absolv 2

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 7.4 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