Hexabromocyclododecane

Hexabromocyclododecane
SMILES
C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br
CAS number
3194-55-6
Formula
C12 H18 Br6
Molecular weight
641.7g/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 2.25E-6 2.13E-3 -2.67 EPI Suite estimation
25 3.16E-3 -2.5 SPARC 1
25 7.94E-8 -7.1 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 1.88E-3 -2.73 EPI Suite estimation
25 6.31E-6 -5.2 SPARC 1
25 6.31E-5 -4.2 Absolv 1

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 5.50E+7 7.74 EPI Suite estimation
25 1.58E+7 7.2 SPARC 1
25 7.94E+8 8.9 Absolv 1

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 2.92E+10 10.5 EPI Suite estimation
25 2.51E+12 12.4 SPARC 1
25 1.58E+13 13.2 Absolv 1
25 4.27E+5 5.63 2

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 2.1 EPI Suite estimation

Half-life for degradation in water

t/°C half-life/day method and notes reference
25 60 EPI Suite estimation

Half-life for degradation in soil

t/°C half-life/day method and notes reference
25 120 EPI Suite estimation

Half-life for degradation in sediment

t/°C half-life/day method and notes reference
25 542 EPI Suite estimation

References

1.
Zhang et al., Chemosphere 144 (2016) 2401-2408
2.
EC, 2008d