CAS Num: 000121-39-1
SMILES : O=C(OCC)C(O1)C1c(cccc2)c2
CHEM   : Oxiranecarboxylic acid, 3-phenyl-, ethyl ester
MOL FOR: C11 H12 O3 
MOL WT : 192.22
------------------------------ 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) =  2.55

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  271.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  47.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00546  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.728  (Modified Grain method)
    BP  (exp database):  135-137 @ 5 mm Hg deg C
    Subcooled liquid VP: 0.00872 mm Hg (25 deg C, Mod-Grain method)
                       : 1.16 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  320.1
       log Kow used: 2.55 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1773.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.17E-007  atm-m3/mole  (2.20E-002 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:  4.314E-006 atm-m3/mole  (4.371E-001 Pa-m3/mole)
      VP:   0.00546 mm Hg (source: MPBPVP)
      WS:   320 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.55  (KowWin est)
  Log Kaw used:  -5.052  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.602
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6109
   Biowin2 (Non-Linear Model)     :   0.9387
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9279  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7945  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5791
   Biowin6 (MITI Non-Linear Model):   0.6220
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5107
 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):  1.16 Pa (0.00872 mm Hg)
  Log Koa (Koawin est  ): 7.602
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.58E-006 
       Octanol/air (Koa) model:  9.82E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.32E-005 
       Mackay model           :  0.000206 
       Octanol/air (Koa) model:  0.000785 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.6690 E-12 cm3/molecule-sec
      Half-Life =     1.604 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.246 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00015 (Junge-Pankow, Mackay avg)
      0.000785 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  97.61  L/kg (MCI method)
      Log Koc:  1.989       (MCI method)
      Koc    :  151.1  L/kg (Kow method)
      Log Koc:  2.179       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.534E-001  L/mol-sec
  Kb Half-Life at pH 8:      52.298  days   
  Kb Half-Life at pH 7:       1.432  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

  Total Ka (acid-catalyzed) at 25 deg C :  9.913E-006  L/mol-sec [cis-isomer]
  Total Ka (acid-catalyzed) at 25 deg C :  2.324E-006  L/mol-sec [trans-isomer]
  Ka Half-Life at pH 7: 2.216E+004  years    [cis-isomer]
  Ka Half-Life at pH 7: 9.451E+004  years    [trans-isomer]
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.348 (BCF = 22.26 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.9110 days (HL = 0.01227 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.661 (BCF = 4.584)
   Log BAF Arnot-Gobas method (upper trophic) = 0.661 (BAF = 4.584)
       log Kow used: 2.55 (estimated)

 Volatilization from Water:
    Henry LC:  2.17E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       3742  hours   (155.9 days)
    Half-Life from Model Lake : 4.094E+004  hours   (1706 days)

 Removal In Wastewater Treatment:
    Total removal:               3.26  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.14  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.56            38.5         1000       
   Water     24.5            360          1000       
   Soil      73.8            720          1000       
   Sediment  0.141           3.24e+003    0          
     Persistence Time: 537 hr