Tetrabromo -o-chlorotoluene

Tetrabromo -o-chlorotoluene
SMILES
Clc1c(C)c(Br)c(c(c1Br)Br)Br
CAS number
39569-21-6
Formula
C7 H3 Br4 CL1
Molecular weight
442.17g/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 3.72E-3 0.0313 -1.5 EPI Suite estimation
25 0.0251 -1.6 SPARC 1
25 3.98E-4 -3.4 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 4.54E-3 -2.34 EPI Suite estimation
25 2.51E-3 -2.6 SPARC 1
25 6.31E-3 -2.2 Absolv 1

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 5.50E+6 6.74 EPI Suite estimation
25 2.00E+6 6.3 SPARC 1
25 1.58E+6 6.2 Absolv 1

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 1.21E+9 9.08 EPI Suite estimation
25 6.31E+8 8.8 SPARC 1
25 2.51E+8 8.4 Absolv 1

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 56 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.
Zhang et al., Chemosphere 144 (2016) 2401-2408