MDMA (3,4-metylendioxymetamfetamin

MDMA (3,4-metylendioxymetamfetamin
SMILES
CC(Cc1ccc2c(c1)OCO2)NC
CAS number
64057-70-1
Formula
C10 H13 N1 O2
Molecular weight
193.25g/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 0.0303 0.567 -0.246 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 1.12E-7 -6.95 EPI Suite estimation

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 191 2.28 EPI Suite estimation

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 1.26E+9 9.1 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