CAS Num: 000591-12-8
SMILES : O=C(OC(=C1)C)C1
CHEM   : 2(3H)-Furanone, 5-methyl-
MOL FOR: C5 H6 O2 
MOL WT : 98.10
------------------------------ 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) =  0.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  198.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -23.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.392  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  52.3  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  18 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.124e+005
       log Kow used: 0.03 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5e+004 mg/L (15 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  27248 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.51E-004  atm-m3/mole  (9.64E+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:  4.502E-007 atm-m3/mole  (4.561E-002 Pa-m3/mole)
      VP:   0.392 mm Hg (source: MPBPVP)
      WS:   1.12E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.03  (KowWin est)
  Log Kaw used:  -1.410  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.440
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8750
   Biowin2 (Non-Linear Model)     :   0.9966
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1226  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9352  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7903
   Biowin6 (MITI Non-Linear Model):   0.9187
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7348
 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):  47.9 Pa (0.359 mm Hg)
  Log Koa (Koawin est  ): 1.440
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.27E-008 
       Octanol/air (Koa) model:  6.76E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.26E-006 
       Mackay model           :  5.01E-006 
       Octanol/air (Koa) model:  5.41E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  87.2213 E-12 cm3/molecule-sec
      Half-Life =     0.123 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.472 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.64E-006 (Junge-Pankow, Mackay avg)
      5.41E-010 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10.39  L/kg (MCI method)
      Log Koc:  1.017       (MCI method)
      Koc    :  7.518  L/kg (Kow method)
      Log Koc:  0.876       (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) = -2.1008 days (HL = 0.007928 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.036 (BCF = 0.9202)
   Log BAF Arnot-Gobas method (upper trophic) = -0.036 (BAF = 0.9202)
       log Kow used: 0.03 (estimated)

 Volatilization from Water:
    Henry LC:  0.000951 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.62  hours
    Half-Life from Model Lake :      100.7  hours   (4.197 days)

 Removal In Wastewater Treatment:
    Total removal:              29.81  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.33  percent
    Total to Air:               28.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.74            1.86         1000       
   Water     63.2            360          1000       
   Soil      34.9            720          1000       
   Sediment  0.143           3.24e+003    0          
     Persistence Time: 113 hr