Pentabromobenzyl acrylate

Pentabromobenzyl acrylate
SMILES
C=CC(=O)OCc1c(c(c(c(c1Br)Br)Br)Br)Br
CAS number
59447-55-1
Formula
C10 H5 Br5 O2
Molecular weight
556.67g/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 1.76E-5 5.75E-4 -3.24 EPI Suite estimation
3.60E-7 1
25 0.0316 -1.5 SPARC 2
25 1.26E-6 -5.9 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 3.06E-6 -5.51 EPI Suite estimation
25 1.00E-5 -5 SPARC 2
25 2.00E-5 -4.7 Absolv 2

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 7.76E+6 6.89 EPI Suite estimation
3.16E+6 6.5 1
25 3.16E+6 6.5 SPARC 2
25 5.01E+6 6.7 Absolv 2
25 1.29E+5 5.11 3

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 2.54E+12 12.4 EPI Suite estimation
25 3.16E+11 11.5 SPARC 2
25 2.51E+11 11.4 Absolv 2

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 0.9 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