Naphthalene

Naphthalene
SMILES
C1=CC=C2C=CC=CC2=C1
CAS number
91-20-3
Formula
C10 H8
Molecular weight
128.18g/mol
Melting point
80  tM/°C reference 1
Entropy of fusion
54.3  ΔfusS/J K-1 mol-1 reference 1

Vapor pressure

t/°C PS/Pa PL/Pa log (PL/Pa) method and notes reference
25 5.38 39.9 1.6 EPI Suite estimation
25 38 1.58 Literature-derived value (LDV) 1
25 38 1.58 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 0.813 -0.09 Literature-derived value (LDV) 1
25 0.813 -0.09 Final adjusted value (FAV) 1

Henry's law constant

t/°C H/Pa m3 mol-1 KAW log (KAW) method and notes reference
25 9.55E-3 -2.02 EPI Suite estimation
25 0.0191 -1.72 Literature-derived value (LDV) 1
25 0.0186 -1.73 Final adjusted value (FAV) 1

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 1.48E+3 3.17 EPI Suite estimation
25 2.45E+3 3.39 Literature-derived value (LDV) 1
25 2.51E+3 3.4 Final adjusted value (FAV) 1

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 1.55E+5 5.19 EPI Suite estimation
25 1.55E+5 5.19 Literature-derived value (LDV) 1
25 1.55E+5 5.19 Final adjusted value (FAV) 1

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 0.5 EPI Suite estimation
25 0.7 Suggested half-life class 2

Half-life for degradation in water

t/°C half-life/day method and notes reference
25 38 EPI Suite estimation
25 7.1 Suggested half-life class 2

Half-life for degradation in soil

t/°C half-life/day method and notes reference
25 75 EPI Suite estimation
25 71 Suggested half-life class 2

Half-life for degradation in sediment

t/°C half-life/day method and notes reference
25 338 EPI Suite estimation
25 230 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.