CAS Number: 
SMILES : COc1ccc(cc1OC)C=CC(=O)NCCc2ccc3OCOc3c2
CHEM   : (2E)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3,4-dimethoxyphenyl)acrylam
         ide
MOL FOR: C20 H21 N1 O5 
MOL WT : 355.39
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  3.19
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  522.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  222.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.71E-011  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.61E-009  (Modified Grain method)
    Subcooled liquid VP: 7.5E-009 mm Hg (25 deg C, Mod-Grain method)
                       : 1E-006 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  10.77
       log Kow used: 3.19 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.51026 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylamides
       Amides 
       Benzodioxoles 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.53E-016  atm-m3/mole  (2.56E-011 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.479E-012 atm-m3/mole  (2.512E-007 Pa-m3/mole)
      VP:   5.71E-011 mm Hg (source: MPBPVP)
      WS:   10.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.19  (KowWin est)
  Log Kaw used:  -13.985  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.175
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3708
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0523  (months      )
   Biowin4 (Primary Survey Model) :   3.7804  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6383
   Biowin6 (MITI Non-Linear Model):   0.4503
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1143
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1E-006 Pa (7.5E-009 mm Hg)
  Log Koa (Koawin est  ): 17.175
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3 
       Octanol/air (Koa) model:  3.67E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.991 
       Mackay model           :  0.996 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  98.6551 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 101.3150 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.301 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.267 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.050000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.091 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.993 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4.136E+004  L/kg (MCI method)
      Log Koc:  4.617       (MCI method)
      Koc    :  596.8  L/kg (Kow method)
      Log Koc:  2.776       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.774 (BCF = 59.44 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4494 days (HL = 0.3553 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.890 (BCF = 77.7)
   Log BAF Arnot-Gobas method (upper trophic) = 1.890 (BAF = 77.7)
       log Kow used: 3.19 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.53E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.363E+012  hours   (1.818E+011 days)
    Half-Life from Model Lake : 4.759E+013  hours   (1.983E+012 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.67  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.53  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.72e-007       2.37         1000       
   Water     6.13            1.44e+003    1000       
   Soil      74.9            2.88e+003    1000       
   Sediment  19              1.3e+004     0          
     Persistence Time: 3.51e+003 hr