CAS Number: 3457-57-6
SMILES : CCC(C)CN(=O)(=O)
CHEM   : 
MOL FOR: C5 H11 N1 O2 
MOL WT : 117.15
------------------------------ 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) =  1.85
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  147.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -13.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.6  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  613  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1093
       log Kow used: 1.85 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2596.5 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.31E-004  atm-m3/mole  (1.33E+001 Pa-m3/mole)
   Group Method:   1.86E-004  atm-m3/mole  (1.88E+001 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  6.487E-004 atm-m3/mole  (6.573E+001 Pa-m3/mole)
      VP:   4.6 mm Hg (source: MPBPVP)
      WS:   1.09E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.85  (KowWin est)
  Log Kaw used:  -2.271  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.121
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6918
   Biowin2 (Non-Linear Model)     :   0.7933
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9403  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6787  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4126
   Biowin6 (MITI Non-Linear Model):   0.4855
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5631
 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):  561 Pa (4.21 mm Hg)
  Log Koa (Koawin est  ): 4.121
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.34E-009 
       Octanol/air (Koa) model:  3.24E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.93E-007 
       Mackay model           :  4.28E-007 
       Octanol/air (Koa) model:  2.59E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.9474 E-12 cm3/molecule-sec
      Half-Life =     5.492 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    65.908 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.1E-007 (Junge-Pankow, Mackay avg)
      2.59E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  104.9  L/kg (MCI method)
      Log Koc:  2.021       (MCI method)
      Koc    :  147.1  L/kg (Kow method)
      Log Koc:  2.167       (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 = 0.890 (BCF = 7.767 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9203 days (HL = 0.1201 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.815 (BCF = 6.525)
   Log BAF Arnot-Gobas method (upper trophic) = 0.815 (BAF = 6.525)
       log Kow used: 1.85 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000186 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      4.511  hours
    Half-Life from Model Lake :        140  hours   (5.832 days)
 
 Removal In Wastewater Treatment:
    Total removal:              10.27  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.90  percent
    Total to Air:                8.28  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       8.65            132          1000       
   Water     24.4            360          1000       
   Soil      66.9            720          1000       
   Sediment  0.147           3.24e+003    0          
     Persistence Time: 374 hr