CAS Num: 000078-98-8
SMILES : O=CC(=O)C
CHEM   : Propanal, 2-oxo-
MOL FOR: C3 H4 O2 
MOL WT : 72.06
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -1.50

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  107.85  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -54.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  121  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.62E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  72 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -1.50 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.70E-007  atm-m3/mole  (2.74E-002 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 2.70E-07  atm-m3/mole  (2.74E-002 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:  1.147E-005 atm-m3/mole  (1.162E+000 Pa-m3/mole)
      VP:   121 mm Hg (source: MPBPVP)
      WS:   1E+006 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.50  (KowWin est)
  Log Kaw used:  -4.957  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.457
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9979
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0622  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9404  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9096
   Biowin6 (MITI Non-Linear Model):   0.9611
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8791
 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):  1.57E+004 Pa (118 mm Hg)
  Log Koa (Koawin est  ): 3.457
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.91E-010 
       Octanol/air (Koa) model:  7.03E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.89E-009 
       Mackay model           :  1.53E-008 
       Octanol/air (Koa) model:  5.62E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.7605 E-12 cm3/molecule-sec
      Half-Life =     0.838 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.059 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.11E-008 (Junge-Pankow, Mackay avg)
      5.62E-008 (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    :  0.4334  L/kg (Kow method)
      Log Koc:  -0.363      (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 v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6900 days (HL = 0.02042 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8945)
   Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8945)
       log Kow used: -1.50 (estimated)

 Volatilization from Water:
    Henry LC:  2.7E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1842  hours   (76.73 days)
    Half-Life from Model Lake : 2.016E+004  hours   (840.1 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.42            14.9         1000       
   Water     44.8            360          1000       
   Soil      53.7            720          1000       
   Sediment  0.0838          3.24e+003    0          
     Persistence Time: 380 hr