Ibuprofen

Ibuprofen
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
CAS number
15687-27-1
Formula
C13 H18 O2
Molecular weight
206.29g/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 0.0248 0.0756 -1.12 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 4.10E-6 -5.39 EPI Suite estimation

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 6.17E+3 3.79 EPI Suite estimation

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 1.50E+9 9.18 EPI Suite estimation

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 0.9 EPI Suite estimation

Half-life for degradation in water

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

Half-life for degradation in soil

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

Half-life for degradation in sediment

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