CAS Num: 005461-08-5
SMILES : O=C(OCc(ccc(OCO1)c12)c2)C(C)C
CHEM   : Propanoic acid, 2-methyl-, 1,3-benzodioxol-5-ylmethyl 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) =  3.05

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  305.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  78.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000439  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0585  (Modified Grain method)
    Subcooled liquid VP: 0.00142 mm Hg (25 deg C, Mod-Grain method)
                       : 0.189 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  82.97
       log Kow used: 3.05 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14.315 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.90E-008  atm-m3/mole  (2.94E-003 Pa-m3/mole)
   Group Method:   6.14E-005  atm-m3/mole  (6.23E+000 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:  1.547E-006 atm-m3/mole  (1.568E-001 Pa-m3/mole)
      VP:   0.000439 mm Hg (source: MPBPVP)
      WS:   83 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.05  (KowWin est)
  Log Kaw used:  -5.926  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.976
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0797
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7320  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.9103  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7240
   Biowin6 (MITI Non-Linear Model):   0.8338
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6253
 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):  0.189 Pa (0.00142 mm Hg)
  Log Koa (Koawin est  ): 8.976
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.58E-005 
       Octanol/air (Koa) model:  0.000232 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000572 
       Mackay model           :  0.00127 
       Octanol/air (Koa) model:  0.0182 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  50.8392 E-12 cm3/molecule-sec
      Half-Life =     0.210 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.525 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000919 (Junge-Pankow, Mackay avg)
      0.0182 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  87.15  L/kg (MCI method)
      Log Koc:  1.940       (MCI method)
      Koc    :  455.4  L/kg (Kow method)
      Log Koc:  2.658       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.464E-001  L/mol-sec
  Kb Half-Life at pH 8:      54.800  days   
  Kb Half-Life at pH 7:       1.500  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.680 (BCF = 47.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1408 days (HL = 0.07232 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.378 (BCF = 23.87)
   Log BAF Arnot-Gobas method (upper trophic) = 1.378 (BAF = 23.87)
       log Kow used: 3.05 (estimated)

 Volatilization from Water:
    Henry LC:  6.14E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      15.74  hours
    Half-Life from Model Lake :      296.7  hours   (12.36 days)

 Removal In Wastewater Treatment:
    Total removal:               9.04  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.90  percent
    Total to Air:                3.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.459           5.05         1000       
   Water     24              900          1000       
   Soil      75.4            1.8e+003     1000       
   Sediment  0.146           8.1e+003     0          
     Persistence Time: 719 hr