CAS Number: 52438-21-8
SMILES : C1CCN(C1)C(=O)C=Cc2ccccc2
CHEM   : 
MOL FOR: C13 H15 N1 O1 
MOL WT : 201.27
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  2.37
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  332.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  99.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.36E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00848  (Modified Grain method)
    Subcooled liquid VP: 0.000334 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0446 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  408.9
       log Kow used: 2.37 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1006.7 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Acrylamides
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.89E-010  atm-m3/mole  (1.00E-004 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:  4.119E-008 atm-m3/mole  (4.174E-003 Pa-m3/mole)
      VP:   6.36E-005 mm Hg (source: MPBPVP)
      WS:   409 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.37  (KowWin est)
  Log Kaw used:  -7.393  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.763
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9900
   Biowin2 (Non-Linear Model)     :   0.9904
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7222  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7677  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3724
   Biowin6 (MITI Non-Linear Model):   0.3111
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6179
 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):  0.0445 Pa (0.000334 mm Hg)
  Log Koa (Koawin est  ): 9.763
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.74E-005 
       Octanol/air (Koa) model:  0.00142 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00243 
       Mackay model           :  0.00536 
       Octanol/air (Koa) model:  0.102 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  44.4109 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  47.0709 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.890 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    2.727 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):
      0.00389 (Junge-Pankow, Mackay avg)
      0.102 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  962.7  L/kg (MCI method)
      Log Koc:  2.983       (MCI method)
      Koc    :  154.4  L/kg (Kow method)
      Log Koc:  2.189       (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 = 1.230 (BCF = 16.98 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0367 days (HL = 0.09189 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.146 (BCF = 13.99)
   Log BAF Arnot-Gobas method (upper trophic) = 1.146 (BAF = 13.99)
       log Kow used: 2.37 (estimated)
 
 Volatilization from Water:
    Henry LC:  9.89E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.399E+005  hours   (3.499E+004 days)
    Half-Life from Model Lake : 9.162E+006  hours   (3.818E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.78  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.68  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       0.00713         4.73         1000       
   Water     12.1            900          1000       
   Soil      87.3            1.8e+003     1000       
   Sediment  0.644           8.1e+003     0          
     Persistence Time: 1.78e+003 hr