Estrone

Estrone
SMILES
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
CAS number
53-16-7
Formula
C18 H22 O2
Molecular weight
270.37g/mol
Melting point
not specified  tM/°C
Entropy of fusion
not specified  ΔfusS/J K-1 mol-1

Vapor pressure

t/°C PS/Pa PL/Pa log (PL/Pa) method and notes reference
25 0.679 253 2.4 EPI Suite estimation

Water solubility

t/°C SWS/mol m-3 SWL/mol m-3 log (SWL/mol m-3) method and notes reference
not specified

Henry's law constant

t/°C H/Pa m3 mol-1 KAW log (KAW) method and notes reference
25 3.10E-8 -7.51 EPI Suite estimation

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 2.69E+3 3.43 EPI Suite estimation

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 8.69E+10 10.9 EPI Suite estimation

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 0.1 EPI Suite estimation

Half-life for degradation in water

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

Half-life for degradation in soil

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

Half-life for degradation in sediment

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