benzo(b)fluoranthene

benzo(b)fluoranthene
SMILES
C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1
CAS number
205-99-2
Formula
C20 H12
Molecular weight
252.32g/mol
Melting point
168.2  tM/°C reference 1
Entropy of fusion
57.9  ΔfusS/J K-1 mol-1 reference 1

Vapor pressure

t/°C PS/Pa PL/Pa log (PL/Pa) method and notes reference
25 3.32E-6 1.73E-3 -2.76 EPI Suite estimation
25 1.10E-5 -4.96 Literature-derived value (LDV) 1
25 1.05E-5 -4.98 Final adjusted value (FAV) 1

Water solubility

t/°C SWS/mol m-3 SWL/mol m-3 log (SWL/mol m-3) method and notes reference
25 1.51E-4 -3.82 Literature-derived value (LDV) 1
25 1.58E-4 -3.8 Final adjusted value (FAV) 1

Henry's law constant

t/°C H/Pa m3 mol-1 KAW log (KAW) method and notes reference
25 5.74E-5 -4.24 EPI Suite estimation
25 2.69E-5 -4.57 Literature-derived value (LDV) 1
25 2.63E-5 -4.58 Final adjusted value (FAV) 1

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 1.29E+6 6.11 EPI Suite estimation
25 6.76E+5 5.83 Literature-derived value (LDV) 1
25 7.24E+5 5.86 Final adjusted value (FAV) 1

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 2.24E+10 10.4 EPI Suite estimation
25 2.19E+11 11.3 Literature-derived value (LDV) 1
25 2.00E+11 11.3 Final adjusted value (FAV) 1

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 0.6 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.
Ma, Y.G., Lei, Y.D., Xiao, H., Wania, F., Wang, W. J. Chem. Eng. Data 2010, 55, 819-825.

Notes and comments that apply to all the records of the database.



Notify editors and administrators about a possible addition/revision to this entry