CAS Num: 068084-07-1
SMILES : O=C(OC(=C(CC1)C)C1(=O))CC(C)C
CHEM   : Butanoic acid, 3-methyl-, 2-methyl-5-oxo-1-cyclopenten-1-yl ester
MOL FOR: C11 H16 O3 
MOL WT : 196.25
------------------------------ 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) =  2.75

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  278.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  62.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00271  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.361  (Modified Grain method)
    Subcooled liquid VP: 0.00613 mm Hg (25 deg C, Mod-Grain method)
                       : 0.817 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  204
       log Kow used: 2.75 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  642.52 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.85E-006  atm-m3/mole  (8.97E-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:  3.430E-006 atm-m3/mole  (3.476E-001 Pa-m3/mole)
      VP:   0.00271 mm Hg (source: MPBPVP)
      WS:   204 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.75  (KowWin est)
  Log Kaw used:  -3.442  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.192
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8351
   Biowin2 (Non-Linear Model)     :   0.9791
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8832  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7713  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6292
   Biowin6 (MITI Non-Linear Model):   0.7312
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0026
 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):  0.817 Pa (0.00613 mm Hg)
  Log Koa (Koawin est  ): 6.192
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.67E-006 
       Octanol/air (Koa) model:  3.82E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000133 
       Mackay model           :  0.000294 
       Octanol/air (Koa) model:  3.06E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 105.0956 E-12 cm3/molecule-sec
      Half-Life =     0.102 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.221 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):
      0.000213 (Junge-Pankow, Mackay avg)
      3.06E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  36.63  L/kg (MCI method)
      Log Koc:  1.564       (MCI method)
      Koc    :  376.9  L/kg (Kow method)
      Log Koc:  2.576       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.186E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.005  years  
  Kb Half-Life at pH 7:      10.048  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.483 (BCF = 30.41 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3742 days (HL = 0.04224 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.119 (BCF = 13.14)
   Log BAF Arnot-Gobas method (upper trophic) = 1.119 (BAF = 13.14)
       log Kow used: 2.75 (estimated)

 Volatilization from Water:
    Henry LC:  8.85E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      94.11  hours   (3.921 days)
    Half-Life from Model Lake :       1144  hours   (47.67 days)

 Removal In Wastewater Treatment:
    Total removal:               4.52  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.92  percent
    Total to Air:                0.48  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.19            1.47         1000       
   Water     32.5            360          1000       
   Soil      67.2            720          1000       
   Sediment  0.109           3.24e+003    0          
     Persistence Time: 398 hr