CAS Number: 65330-49-6
SMILES : CCOC1=C(OC(C1(=O))C)C
CHEM   : 4-ethoxy-2,5-dimethylfuran-3-one
MOL FOR: C8 H12 O3 
MOL WT : 156.18
------------------------------ 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) =  1.11
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  233.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  41.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0696  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.27  (Modified Grain method)
    Subcooled liquid VP: 0.0981 mm Hg (25 deg C, Mod-Grain method)
                       : 13.1 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8071
       log Kow used: 1.11 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.2071e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.04E-005  atm-m3/mole  (1.05E+000 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:  1.772E-006 atm-m3/mole  (1.796E-001 Pa-m3/mole)
      VP:   0.0696 mm Hg (source: MPBPVP)
      WS:   8.07E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.11  (KowWin est)
  Log Kaw used:  -3.371  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.481
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0147
   Biowin2 (Non-Linear Model)     :   0.0015
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8142  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5807  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4313
   Biowin6 (MITI Non-Linear Model):   0.2678
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2436
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  13.1 Pa (0.0981 mm Hg)
  Log Koa (Koawin est  ): 4.481
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.29E-007 
       Octanol/air (Koa) model:  7.43E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.28E-006 
       Mackay model           :  1.83E-005 
       Octanol/air (Koa) model:  5.94E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 179.8301 E-12 cm3/molecule-sec
      Half-Life =     0.059 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.714 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    28.437500 E-17 cm3/molecule-sec
      Half-Life =     0.040 Days (at 7E11 mol/cm3)
      Half-Life =     58.030 Min
   Fraction sorbed to airborne particulates (phi):
      1.33E-005 (Junge-Pankow, Mackay avg)
      5.94E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  35.77  L/kg (Kow method)
      Log Koc:  1.553       (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 = 0.398 (BCF = 2.498 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0517 days (HL = 0.08879 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.286 (BCF = 1.933)
   Log BAF Arnot-Gobas method (upper trophic) = 0.286 (BAF = 1.933)
       log Kow used: 1.11 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.04E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      71.63  hours   (2.985 days)
    Half-Life from Model Lake :      886.2  hours   (36.93 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.47  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  percent
    Total to Air:                0.58  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0899          0.577        1000       
   Water     40.4            360          1000       
   Soil      59.4            720          1000       
   Sediment  0.091           3.24e+003    0          
     Persistence Time: 352 hr