CAS Number: 107-58-4
SMILES : O=C(NC(C)(C)C)C=C
CHEM   : 2-Propenamide, N-(1,1-dimethylethyl)-
MOL FOR: C7 H13 N1 O1 
MOL WT : 127.19
------------------------------ 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) =  1.02
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  247.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  57.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00289  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.385  (Modified Grain method)
    MP  (exp database):  128-129 deg C
    Subcooled liquid VP: 0.0309 mm Hg (25 deg C, Mod-Grain method)
                       : 4.12 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.267e+004
       log Kow used: 1.02 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  72795 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Acrylamides
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.03E-008  atm-m3/mole  (3.07E-003 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:  3.817E-008 atm-m3/mole  (3.868E-003 Pa-m3/mole)
      VP:   0.00289 mm Hg (source: MPBPVP)
      WS:   1.27E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.02  (KowWin est)
  Log Kaw used:  -5.907  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.927
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7132
   Biowin2 (Non-Linear Model)     :   0.8976
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6518  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7162  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5478
   Biowin6 (MITI Non-Linear Model):   0.5702
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5253
 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):  4.12 Pa (0.0309 mm Hg)
  Log Koa (Koawin est  ): 6.927
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.28E-007 
       Octanol/air (Koa) model:  2.07E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.63E-005 
       Mackay model           :  5.82E-005 
       Octanol/air (Koa) model:  0.000166 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.2068 E-12 cm3/molecule-sec
      Half-Life =     0.703 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.440 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      4.23E-005 (Junge-Pankow, Mackay avg)
      0.000166 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  26.35  L/kg (MCI method)
      Log Koc:  1.421       (MCI method)
      Koc    :  29.09  L/kg (Kow method)
      Log Koc:  1.464       (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 = 0.340 (BCF = 2.19 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.4113 days (HL = 0.03879 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.190 (BCF = 1.548)
   Log BAF Arnot-Gobas method (upper trophic) = 0.190 (BAF = 1.548)
       log Kow used: 1.02 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.03E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.179E+004  hours   (908 days)
    Half-Life from Model Lake : 2.378E+005  hours   (9910 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  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       0.229           15.2         1000       
   Water     29              900          1000       
   Soil      70.7            1.8e+003     1000       
   Sediment  0.0916          8.1e+003     0          
     Persistence Time: 1.1e+003 hr