CAS Num: 004861-85-2
SMILES : O=C(OC(C)C)Cc(cccc1)c1
CHEM   : Benzeneacetic acid, 1-methylethyl ester
MOL FOR: C11 H14 O2 
MOL WT : 178.23
------------------------------ 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) =  2.99

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  241.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  10.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0428  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.7  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  157.2
       log Kow used: 2.99 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  140.8 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.49E-005  atm-m3/mole  (2.53E+000 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:  6.385E-005 atm-m3/mole  (6.470E+000 Pa-m3/mole)
      VP:   0.0428 mm Hg (source: MPBPVP)
      WS:   157 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.99  (KowWin est)
  Log Kaw used:  -2.992  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.982
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0196
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8927  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7559  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4612
   Biowin6 (MITI Non-Linear Model):   0.5601
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3022
 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):  5.48 Pa (0.0411 mm Hg)
  Log Koa (Koawin est  ): 5.982
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.47E-007 
       Octanol/air (Koa) model:  2.36E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.98E-005 
       Mackay model           :  4.38E-005 
       Octanol/air (Koa) model:  1.88E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.9622 E-12 cm3/molecule-sec
      Half-Life =     1.536 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    18.435 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.18E-005 (Junge-Pankow, Mackay avg)
      1.88E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  335.2  L/kg (MCI method)
      Log Koc:  2.525       (MCI method)
      Koc    :  326.1  L/kg (Kow method)
      Log Koc:  2.513       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.523E-001  L/mol-sec
  Kb Half-Life at pH 8:      52.684  days   
  Kb Half-Life at pH 7:       1.442  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.640 (BCF = 43.61 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3943 days (HL = 0.04033 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.161 (BCF = 14.5)
   Log BAF Arnot-Gobas method (upper trophic) = 1.161 (BAF = 14.5)
       log Kow used: 2.99 (estimated)

 Volatilization from Water:
    Henry LC:  2.49E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      32.75  hours   (1.365 days)
    Half-Life from Model Lake :      469.3  hours   (19.55 days)

 Removal In Wastewater Treatment:
    Total removal:               6.86  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.44  percent
    Total to Air:                1.30  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.73            36.9         1000       
   Water     24.2            360          1000       
   Soil      72.7            720          1000       
   Sediment  0.345           3.24e+003    0          
     Persistence Time: 456 hr