CAS Number: 25805-17-8
SMILES : CCC1=NCCO1
CHEM   : 
MOL FOR: C5 H9 N1 O1 
MOL WT : 99.13
------------------------------ 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) =  1.96
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  133.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -18.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.49  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.13E+003  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2472
       log Kow used: 1.96 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8880.5 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.41E-005  atm-m3/mole  (4.47E+000 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:  4.480E-004 atm-m3/mole  (4.539E+001 Pa-m3/mole)
      VP:   8.49 mm Hg (source: MPBPVP)
      WS:   2.47E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.96  (KowWin est)
  Log Kaw used:  -2.744  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.704
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7004
   Biowin2 (Non-Linear Model)     :   0.8322
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9801  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7047  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5065
   Biowin6 (MITI Non-Linear Model):   0.6424
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5425
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.05E+003 Pa (7.84 mm Hg)
  Log Koa (Koawin est  ): 4.704
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.87E-009 
       Octanol/air (Koa) model:  1.24E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.04E-007 
       Mackay model           :  2.3E-007 
       Octanol/air (Koa) model:  9.93E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.0134 E-12 cm3/molecule-sec
      Half-Life =     1.068 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.818 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.67E-007 (Junge-Pankow, Mackay avg)
      9.93E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  32.9  L/kg (MCI method)
      Log Koc:  1.517       (MCI method)
      Koc    :  82.92  L/kg (Kow method)
      Log Koc:  1.919       (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 = 0.963 (BCF = 9.184 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7258 days (HL = 0.188 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.941 (BCF = 8.739)
   Log BAF Arnot-Gobas method (upper trophic) = 0.941 (BAF = 8.739)
       log Kow used: 1.96 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.41E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      14.23  hours
    Half-Life from Model Lake :      238.8  hours   (9.949 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.49  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.08  percent
    Total to Air:                2.32  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.1             25.6         1000       
   Water     32.2            360          1000       
   Soil      64.6            720          1000       
   Sediment  0.103           3.24e+003    0          
     Persistence Time: 369 hr