Trimethoprim

Trimethoprim
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
CAS number
738-70-5
Formula
C14 H18 N4 O3
Molecular weight
290.32g/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 1.00E-6 6.84E-5 -4.16 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 6.46E-13 -12.2 EPI Suite estimation

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 5.37 0.73 EPI Suite estimation

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 8.32E+12 12.9 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 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