CAS Num: 039924-52-2
SMILES : O=C(OC)CC(C(C(=O)C1)CC=CCC)C1
CHEM   : Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester
MOL FOR: C13 H20 O3 
MOL WT : 224.30
------------------------------ 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) =  2.76

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  313.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  72.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000337  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0449  (Modified Grain method)
    Subcooled liquid VP: 0.000944 mm Hg (25 deg C, Mod-Grain method)
                       : 0.126 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  143.5
       log Kow used: 2.76 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  339.59 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.41E-007  atm-m3/mole  (4.47E-002 Pa-m3/mole)
   Group Method:   1.38E-008  atm-m3/mole  (1.39E-003 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:  6.931E-007 atm-m3/mole  (7.023E-002 Pa-m3/mole)
      VP:   0.000337 mm Hg (source: MPBPVP)
      WS:   144 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.76  (KowWin est)
  Log Kaw used:  -4.744  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.504
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9302
   Biowin2 (Non-Linear Model)     :   0.9950
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1196  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9999  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7321
   Biowin6 (MITI Non-Linear Model):   0.7168
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0910
 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):  0.126 Pa (0.000944 mm Hg)
  Log Koa (Koawin est  ): 7.504
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.38E-005 
       Octanol/air (Koa) model:  7.83E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00086 
       Mackay model           :  0.0019 
       Octanol/air (Koa) model:  0.000626 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  73.8711 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  81.4711 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.738 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.575 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00138 (Junge-Pankow, Mackay avg)
      0.000626 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  151.4  L/kg (MCI method)
      Log Koc:  2.180       (MCI method)
      Koc    :  381.7  L/kg (Kow method)
      Log Koc:  2.582       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.784E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.231  years  
  Kb Half-Life at pH 7:      12.311  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.488 (BCF = 30.76 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1923 days (HL = 0.06423 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.252 (BCF = 17.85)
   Log BAF Arnot-Gobas method (upper trophic) = 1.252 (BAF = 17.85)
       log Kow used: 2.76 (estimated)

 Volatilization from Water:
    Henry LC:  1.38E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 6.354E+004  hours   (2648 days)
    Half-Life from Model Lake : 6.933E+005  hours   (2.889E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               4.10  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.99  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0888          1.32         1000       
   Water     23.9            360          1000       
   Soil      75.8            720          1000       
   Sediment  0.186           3.24e+003    0          
     Persistence Time: 525 hr