CAS Num: 000497-23-4
SMILES : O1C(=O)C=CC1
CHEM   : 2(5H)-Furanone
MOL FOR: C4 H4 O2 
MOL WT : 84.08
------------------------------ 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) =  -0.52
    Log Kow (Exper. database match) =  -0.60
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  179.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -40.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.981  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  131  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  4.5 deg C
    BP  (exp database):  86.5 @ 12 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.178e+005
       log Kow used: -0.60 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  48932 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.81E-005  atm-m3/mole  (4.88E+000 Pa-m3/mole)
   Group Method:   9.74E-006  atm-m3/mole  (9.87E-001 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:  2.598E-007 atm-m3/mole  (2.632E-002 Pa-m3/mole)
      VP:   0.981 mm Hg (source: MPBPVP)
      WS:   4.18E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.60  (exp database)
  Log Kaw used:  -2.706  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.106
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8817
   Biowin2 (Non-Linear Model)     :   0.9973
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1536  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9554  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8379
   Biowin6 (MITI Non-Linear Model):   0.9447
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7409
 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):  119 Pa (0.891 mm Hg)
  Log Koa (Koawin est  ): 2.106
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.53E-008 
       Octanol/air (Koa) model:  3.13E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.12E-007 
       Mackay model           :  2.02E-006 
       Octanol/air (Koa) model:  2.51E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.2364 E-12 cm3/molecule-sec
      Half-Life =     0.874 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.489 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.47E-006 (Junge-Pankow, Mackay avg)
      2.51E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6.477  L/kg (MCI method)
      Log Koc:  0.811       (MCI method)
      Koc    :  3.37  L/kg (Kow method)
      Log Koc:  0.528       (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) = -2.4037 days (HL = 0.003948 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8979)
   Log BAF Arnot-Gobas method (upper trophic) = -0.047 (BAF = 0.8979)
       log Kow used: -0.60 (expkow database)

 Volatilization from Water:
    Henry LC:  9.74E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      56.05  hours   (2.336 days)
    Half-Life from Model Lake :      688.4  hours   (28.68 days)

 Removal In Wastewater Treatment:
    Total removal:               2.38  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.54  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.46            20.6         1000       
   Water     41.8            360          1000       
   Soil      55.7            720          1000       
   Sediment  0.0879          3.24e+003    0          
     Persistence Time: 353 hr