Phenanthrene

Phenanthrene
SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C32
CAS number
85-01-8
Formula
C14 H10
Molecular weight
178.24g/mol
Melting point
99  tM/°C reference 1
Entropy of fusion
45.9  ΔfusS/J K-1 mol-1 reference 1

Vapor pressure

t/°C PS/Pa PL/Pa log (PL/Pa) method and notes reference
25 5.76E-3 0.0875 -1.06 EPI Suite estimation
25 0.0912 -1.04 Literature-derived value (LDV) 1
25 0.102 -0.99 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 0.0269 -1.57 Literature-derived value (LDV) 1
25 0.024 -1.62 Final adjusted value (FAV) 1

Henry's law constant

t/°C H/Pa m3 mol-1 KAW log (KAW) method and notes reference
25 6.03E-4 -3.22 EPI Suite estimation
25 1.78E-3 -2.75 Literature-derived value (LDV) 1
25 1.74E-3 -2.76 Final adjusted value (FAV) 1

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 2.24E+4 4.35 EPI Suite estimation
25 3.09E+4 4.49 Literature-derived value (LDV) 1
25 2.95E+4 4.47 Final adjusted value (FAV) 1

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 3.72E+7 7.57 EPI Suite estimation
25 4.07E+7 7.61 Literature-derived value (LDV) 1
25 4.37E+7 7.64 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 60 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
25 120 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
25 542 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.