CAS Num: 074367-97-8
SMILES : O1C(C)(c2ccc(C)cc2)C1C(=O)OCC
CHEM   : Oxiranecarboxylic acid, 3-methyl-3-(4-methylphenyl)-, ethylester
MOL FOR: C13 H16 O3 
MOL WT : 220.27
------------------------------ 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) =  3.55

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  294.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  75.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00087  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.116  (Modified Grain method)
    Subcooled liquid VP: 0.0026 mm Hg (25 deg C, Mod-Grain method)
                       : 0.346 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  32.02
       log Kow used: 3.55 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  258.49 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 :   3.18E-007  atm-m3/mole  (3.22E-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:  7.875E-006 atm-m3/mole  (7.979E-001 Pa-m3/mole)
      VP:   0.00087 mm Hg (source: MPBPVP)
      WS:   32 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.55  (KowWin est)
  Log Kaw used:  -4.886  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.436
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3402
   Biowin2 (Non-Linear Model)     :   0.3509
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5570  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5272  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6067
   Biowin6 (MITI Non-Linear Model):   0.5078
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4307
 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):  0.347 Pa (0.0026 mm Hg)
  Log Koa (Koawin est  ): 8.436
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.65E-006 
       Octanol/air (Koa) model:  6.7E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000312 
       Mackay model           :  0.000692 
       Octanol/air (Koa) model:  0.00533 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.6371 E-12 cm3/molecule-sec
      Half-Life =     1.238 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.861 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000502 (Junge-Pankow, Mackay avg)
      0.00533 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  240.1  L/kg (MCI method)
      Log Koc:  2.380       (MCI method)
      Koc    :  540.2  L/kg (Kow method)
      Log Koc:  2.733       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.249E-005  L/mol-sec
  Kb Half-Life at pH 8:     675.915  years  
  Kb Half-Life at pH 7:    6759.149  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

  Total Ka (acid-catalyzed) at 25 deg C :  1.072E-002  L/mol-sec [cis-isomer]
  Total Ka (acid-catalyzed) at 25 deg C :  2.512E-003  L/mol-sec [trans-isomer]
  Ka Half-Life at pH 7:      20.497  years    [cis-isomer]
  Ka Half-Life at pH 7:      87.436  years    [trans-isomer]
    (Total Ka applies to epoxide(s) only)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.008 (BCF = 101.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8380 days (HL = 0.1452 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.723 (BCF = 52.87)
   Log BAF Arnot-Gobas method (upper trophic) = 1.723 (BAF = 52.87)
       log Kow used: 3.55 (estimated)

 Volatilization from Water:
    Henry LC:  3.18E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2734  hours   (113.9 days)
    Half-Life from Model Lake : 2.995E+004  hours   (1248 days)

 Removal In Wastewater Treatment:
    Total removal:              14.23  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    14.03  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.713           29.7         1000       
   Water     18.9            900          1000       
   Soil      80.1            1.8e+003     1000       
   Sediment  0.261           8.1e+003     0          
     Persistence Time: 1.14e+003 hr