CAS Number: 22094-23-1
SMILES : O=CC(C)OC(=O)C
CHEM   : 1-oxopropan-2-yl acetate
MOL FOR: C5 H8 O3 
MOL WT : 116.12
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  -0.21
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  146.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -42.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.63  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  618  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.559e+005
       log Kow used: -0.21 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.6848e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.52E-006  atm-m3/mole  (1.54E-001 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:  4.538E-006 atm-m3/mole  (4.598E-001 Pa-m3/mole)
      VP:   4.63 mm Hg (source: MPBPVP)
      WS:   1.56E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.21  (KowWin est)
  Log Kaw used:  -4.207  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.997
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1511
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1051  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1058  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0720
   Biowin6 (MITI Non-Linear Model):   0.9866
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8055
 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):  565 Pa (4.24 mm Hg)
  Log Koa (Koawin est  ): 3.997
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.31E-009 
       Octanol/air (Koa) model:  2.44E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.92E-007 
       Mackay model           :  4.25E-007 
       Octanol/air (Koa) model:  1.95E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  23.6605 E-12 cm3/molecule-sec
      Half-Life =     0.452 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.425 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.08E-007 (Junge-Pankow, Mackay avg)
      1.95E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1  L/kg (MCI method)
      Log Koc:  0.000       (MCI method)
      Koc    :  3.266  L/kg (Kow method)
      Log Koc:  0.514       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.082E-002  L/mol-sec
  Kb Half-Life at pH 8:      88.325  days   
  Kb Half-Life at pH 7:       2.418  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.1137 days (HL = 0.007696 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.042 (BCF = 0.9085)
   Log BAF Arnot-Gobas method (upper trophic) = -0.042 (BAF = 0.9085)
       log Kow used: -0.21 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.52E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      416.2  hours   (17.34 days)
    Half-Life from Model Lake :       4630  hours   (192.9 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.93  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.09  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.39            10.9         1000       
   Water     46.7            360          1000       
   Soil      51.8            720          1000       
   Sediment  0.0874          3.24e+003    0          
     Persistence Time: 346 hr