Didesmethylcitalopram

Didesmethylcitalopram
SMILES
c1cc(ccc1[C@]2(c3ccc(cc3CO2)C#N)CCCN)F
CAS number
166037-78-1
Formula
C18 H17 F1 N2 O1
Molecular weight
296.35g/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 1.68E-5 5.01E-4 -3.3 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 2.29E-10 -9.64 EPI Suite estimation

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 1.17E+3 3.07 EPI Suite estimation

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 5.14E+12 12.7 EPI Suite estimation

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 0.2 EPI Suite estimation

Half-life for degradation in water

t/°C half-life/day method and notes reference
25 60 EPI Suite estimation

Half-life for degradation in soil

t/°C half-life/day method and notes reference
25 120 EPI Suite estimation

Half-life for degradation in sediment

t/°C half-life/day method and notes reference
25 542 EPI Suite estimation