Cocaine

Cocaine
SMILES
CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC
CAS number
50-36-2
Formula
C17 H21 N1 O4
Molecular weight
303.36g/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 1.72E-3 1.35E-4 -3.87 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 1.73E-9 -8.76 EPI Suite estimation

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 148 2.17 EPI Suite estimation

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 1.15E+11 11.1 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 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