CAS Num: 000101-41-7
SMILES : O=C(OC)Cc(cccc1)c1
CHEM   : Benzeneacetic acid, methyl ester
MOL FOR: C9 H10 O2 
MOL WT : 150.18
------------------------------ 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) =  2.08
    Log Kow (Exper. database match) =  1.83
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  215.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -0.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.157  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  20.9  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  216.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2072
       log Kow used: 1.83 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  839.48 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.42E-005  atm-m3/mole  (1.43E+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:  1.497E-005 atm-m3/mole  (1.517E+000 Pa-m3/mole)
      VP:   0.157 mm Hg (source: MPBPVP)
      WS:   2.07E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.83  (exp database)
  Log Kaw used:  -3.236  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.066
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0330
   Biowin2 (Non-Linear Model)     :   0.9993
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9547  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7964  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5949
   Biowin6 (MITI Non-Linear Model):   0.7562
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5476
 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):  19.3 Pa (0.145 mm Hg)
  Log Koa (Koawin est  ): 5.066
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.55E-007 
       Octanol/air (Koa) model:  2.86E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.6E-006 
       Mackay model           :  1.24E-005 
       Octanol/air (Koa) model:  2.29E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.7413 E-12 cm3/molecule-sec
      Half-Life =     2.859 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    34.307 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.01E-006 (Junge-Pankow, Mackay avg)
      2.29E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  120  L/kg (MCI method)
      Log Koc:  2.079       (MCI method)
      Koc    :  74.43  L/kg (Kow method)
      Log Koc:  1.872       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.145E-001  L/mol-sec
  Kb Half-Life at pH 8:      37.401  days   
  Kb Half-Life at pH 7:       1.024  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.874 (BCF = 7.489 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.7326 days (HL = 0.01851 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.493 (BCF = 3.109)
   Log BAF Arnot-Gobas method (upper trophic) = 0.493 (BAF = 3.109)
       log Kow used: 1.83 (expkow database)

 Volatilization from Water:
    Henry LC:  1.42E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      51.78  hours   (2.157 days)
    Half-Life from Model Lake :      667.6  hours   (27.82 days)

 Removal In Wastewater Treatment:
    Total removal:               2.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.01  percent
    Total to Air:                0.78  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.85            68.6         1000       
   Water     26.5            360          1000       
   Soil      69.4            720          1000       
   Sediment  0.175           3.24e+003    0          
     Persistence Time: 451 hr