CAS Num: 061312-35-4
SMILES : O=C(OCc(ccc(OC)c1)c1)CC(=O)C
CHEM   : Butanoic acid, 3-oxo-, (4-methoxyphenyl)methyl ester
MOL FOR: C12 H14 O4 
MOL WT : 222.24
------------------------------ 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) =  1.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  314.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  87.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000228  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0303  (Modified Grain method)
    Subcooled liquid VP: 0.000909 mm Hg (25 deg C, Mod-Grain method)
                       : 0.121 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3894
       log Kow used: 1.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1934.1 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.63E-010  atm-m3/mole  (5.71E-005 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:  1.712E-008 atm-m3/mole  (1.735E-003 Pa-m3/mole)
      VP:   0.000228 mm Hg (source: MPBPVP)
      WS:   3.89E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.09  (KowWin est)
  Log Kaw used:  -7.638  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.728
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9547
   Biowin2 (Non-Linear Model)     :   0.9968
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7677  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8110  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7351
   Biowin6 (MITI Non-Linear Model):   0.8229
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2718
 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):  0.121 Pa (0.000909 mm Hg)
  Log Koa (Koawin est  ): 8.728
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.48E-005 
       Octanol/air (Koa) model:  0.000131 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000893 
       Mackay model           :  0.00198 
       Octanol/air (Koa) model:  0.0104 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.8419 E-12 cm3/molecule-sec
      Half-Life =     0.371 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.450 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00143 (Junge-Pankow, Mackay avg)
      0.0104 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  29.08  L/kg (MCI method)
      Log Koc:  1.464       (MCI method)
      Koc    :  51.75  L/kg (Kow method)
      Log Koc:  1.714       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.804E+000  L/mol-sec
  Kb Half-Life at pH 8:       4.446  days   
  Kb Half-Life at pH 7:      44.461  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.389 (BCF = 2.449 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.9650 days (HL = 0.01084 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.101 (BCF = 1.263)
   Log BAF Arnot-Gobas method (upper trophic) = 0.101 (BAF = 1.263)
       log Kow used: 1.09 (estimated)

 Volatilization from Water:
    Henry LC:  5.63E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  1.55E+006  hours   (6.46E+004 days)
    Half-Life from Model Lake : 1.691E+007  hours   (7.047E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  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       0.011           8.9          1000       
   Water     24.7            360          1000       
   Soil      75.3            720          1000       
   Sediment  0.075           3.24e+003    0          
     Persistence Time: 687 hr