fluorene

fluorene
SMILES
C1C2=CC=CC=C2C3=CC=CC=C31
CAS number
86-73-7
Formula
C13 H10
Molecular weight
166.22g/mol
Melting point
114.7  tM/°C reference 1
Entropy of fusion
49.9  ΔfusS/J K-1 mol-1 reference 1

Vapor pressure

t/°C PS/Pa PL/Pa log (PL/Pa) method and notes reference
25 0.044 0.619 -0.208 EPI Suite estimation
25 0.479 -0.32 Literature-derived value (LDV) 1
25 0.537 -0.27 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 0.0676 -1.17 Literature-derived value (LDV) 1
25 0.0603 -1.22 Final adjusted value (FAV) 1

Henry's law constant

t/°C H/Pa m3 mol-1 KAW log (KAW) method and notes reference
25 1.70E-3 -2.77 EPI Suite estimation
25 3.80E-3 -2.42 Literature-derived value (LDV) 1
25 3.63E-3 -2.44 Final adjusted value (FAV) 1

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 1.05E+4 4.02 EPI Suite estimation
25 1.38E+4 4.14 Literature-derived value (LDV) 1
25 1.29E+4 4.11 Final adjusted value (FAV) 1

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 6.17E+6 6.79 EPI Suite estimation
25 6.46E+6 6.81 Literature-derived value (LDV) 1
25 7.08E+6 6.85 Final adjusted value (FAV) 1

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 0.8 EPI Suite estimation
25 2.3 Suggested half-life class 2

Half-life for degradation in water

t/°C half-life/day method and notes reference
25 15 EPI Suite estimation
25 23 Suggested half-life class 2

Half-life for degradation in soil

t/°C half-life/day method and notes reference
25 30 EPI Suite estimation
25 230 Suggested half-life class 2

Half-life for degradation in sediment

t/°C half-life/day method and notes reference
25 135 EPI Suite estimation
25 710 Suggested half-life class 2

References

1.
Ma, Y.G., Lei, Y.D., Xiao, H., Wania, F., Wang, W. J. Chem. Eng. Data 2010, 55, 819-825.
2.
Mackay, D., Shiu, W.Y., Ma, K., Lee, S.C. Handbook of physical-chemical properties and environmental fate for organic chemicals. Volume I. CRC Press. 2006.