Indeno(1,2,3-cd)pyrene

Indeno(1,2,3-cd)pyrene
SMILES
c1ccc-2c(c1)-c3ccc4ccc5cccc6c5c4c3c2c6
CAS number
193-39-5
Formula
C22 H12
Molecular weight
276.34g/mol
Melting point
163  tM/°C reference 1
Entropy of fusion
49.4  ΔfusS/J K-1 mol-1 reference 1

Vapor pressure

t/°C PS/Pa PL/Pa log (PL/Pa) method and notes reference
25 1.67E-8 4.44E-7 -6.35 EPI Suite estimation
25 1.07E-6 -5.97 Literature-derived value (LDV) 1
25 6.61E-7 -6.18 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 7.94E-6 -5.1 Literature-derived value (LDV) 1
25 1.32E-5 -4.88 Final adjusted value (FAV) 1

Henry's law constant

t/°C H/Pa m3 mol-1 KAW log (KAW) method and notes reference
25 1.42E-5 -4.85 EPI Suite estimation
25 1.41E-5 -4.85 Literature-derived value (LDV) 1
25 2.00E-5 -4.7 Final adjusted value (FAV) 1

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 5.01E+6 6.7 EPI Suite estimation
25 3.39E+6 6.53 Literature-derived value (LDV) 1
25 3.72E+6 6.57 Final adjusted value (FAV) 1

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 3.52E+11 11.5 EPI Suite estimation
25 2.69E+12 12.4 Literature-derived value (LDV) 1
25 2.69E+12 12.4 Final adjusted value (FAV) 1

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 0.2 EPI Suite estimation
25 Suggested half-life class

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.