Fluoranthene

Fluoranthene
SMILES
C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4
CAS number
206-44-0
Formula
C16 H10
Molecular weight
202.26g/mol
Melting point
109  tM/°C reference 1
Entropy of fusion
49.5  ΔfusS/J K-1 mol-1 reference 1

Vapor pressure

t/°C PS/Pa PL/Pa log (PL/Pa) method and notes reference
25 4.17E-4 8.11E-3 -2.09 EPI Suite estimation
25 6.17E-3 -2.21 Literature-derived value (LDV) 1
25 6.76E-3 -2.17 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 5.62E-3 -2.25 Literature-derived value (LDV) 1
25 5.13E-3 -2.29 Final adjusted value (FAV) 1

Henry's law constant

t/°C H/Pa m3 mol-1 KAW log (KAW) method and notes reference
25 1.12E-4 -3.95 EPI Suite estimation
25 5.89E-4 -3.23 Literature-derived value (LDV) 1
25 5.37E-4 -3.27 Final adjusted value (FAV) 1

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 8.51E+4 4.93 EPI Suite estimation
25 1 0 Literature-derived value (LDV) 1
25 1 0 Final adjusted value (FAV) 1

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 7.59E+8 8.88 EPI Suite estimation
25 6.31E+8 8.8 Literature-derived value (LDV) 1
25 6.46E+8 8.81 Final adjusted value (FAV) 1

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 1.0 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.