CAS Num: 007563-33-9
SMILES : OC(=O)CC(C)C
CHEM   : 
MOL FOR: C5 H10 O2 
MOL WT : 102.13
------------------------------ 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) =  1.49
    Log Kow (Exper. database match) =  1.16
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  175.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  3.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.14  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  152  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -29.3 deg C
    BP  (exp database):  176.5 deg C
    VP  (exp database):  4.40E-01 mm Hg (5.87E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.924e+004
       log Kow used: 1.16 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4.07e+004 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  53838 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.28E-006  atm-m3/mole  (1.30E-001 Pa-m3/mole)
   Group Method:   9.96E-007  atm-m3/mole  (1.01E-001 Pa-m3/mole)
   Exper Database: 8.33E-07  atm-m3/mole  (8.44E-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:  5.239E-006 atm-m3/mole  (5.309E-001 Pa-m3/mole)
      VP:   1.14 mm Hg (source: MPBPVP)
      WS:   2.92E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.16  (exp database)
  Log Kaw used:  -4.468  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.628
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7716
   Biowin2 (Non-Linear Model)     :   0.9004
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3381  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0860  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5890
   Biowin6 (MITI Non-Linear Model):   0.7466
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7239
 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):  58.7 Pa (0.44 mm Hg)
  Log Koa (Koawin est  ): 5.628
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.11E-008 
       Octanol/air (Koa) model:  1.04E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.85E-006 
       Mackay model           :  4.09E-006 
       Octanol/air (Koa) model:  8.34E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.1024 E-12 cm3/molecule-sec
      Half-Life =     2.607 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    31.287 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.97E-006 (Junge-Pankow, Mackay avg)
      8.34E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4.022  L/kg (MCI method)
      Log Koc:  0.604       (MCI method)
      Koc    :  6.271  L/kg (Kow method)
      Log Koc:  0.797       (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) = -0.7390 days (HL = 0.1824 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.348 (BCF = 2.229)
   Log BAF Arnot-Gobas method (upper trophic) = 0.348 (BAF = 2.229)
       log Kow used: 1.16 (expkow database)

 Volatilization from Water:
    Henry LC:  8.33E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      711.3  hours   (29.64 days)
    Half-Life from Model Lake :       7845  hours   (326.9 days)

 Removal In Wastewater Treatment:
    Total removal:               1.95  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.81  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.27            62.6         1000       
   Water     37.6            208          1000       
   Soil      57.1            416          1000       
   Sediment  0.0708          1.87e+003    0          
     Persistence Time: 271 hr