CAS Num: 000099-75-2
SMILES : O=C(OC)c(ccc(c1)C)c1
CHEM   : Benzoic acid, 4-methyl-, 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) =  2.38
    Log Kow (Exper. database match) =  2.70
       Exper. Ref:  SOTOMATSU,T ET AL. (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  215.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  5.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.103  (Modified Grain method)
    VP (Pa, 25 deg C) :  13.7  (Modified Grain method)
    MP  (exp database):  33.2 deg C
    BP  (exp database):  220 deg C
    Subcooled liquid VP: 0.122 mm Hg (25 deg C, Mod-Grain method)
                       : 16.3 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  374.5
       log Kow used: 2.70 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1149.5 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.83E-005  atm-m3/mole  (3.88E+000 Pa-m3/mole)
   Group Method:   1.94E-005  atm-m3/mole  (1.97E+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:  5.435E-005 atm-m3/mole  (5.507E+000 Pa-m3/mole)
      VP:   0.103 mm Hg (source: MPBPVP)
      WS:   375 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.70  (exp database)
  Log Kaw used:  -2.805  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.505
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9049
   Biowin2 (Non-Linear Model)     :   0.9961
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9327  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7915  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6838
   Biowin6 (MITI Non-Linear Model):   0.8090
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1749
 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):  16.3 Pa (0.122 mm Hg)
  Log Koa (Koawin est  ): 5.505
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.84E-007 
       Octanol/air (Koa) model:  7.85E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.66E-006 
       Mackay model           :  1.48E-005 
       Octanol/air (Koa) model:  6.28E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.9890 E-12 cm3/molecule-sec
      Half-Life =     5.378 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    64.531 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.07E-005 (Junge-Pankow, Mackay avg)
      6.28E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  107.8  L/kg (MCI method)
      Log Koc:  2.033       (MCI method)
      Koc    :  225.4  L/kg (Kow method)
      Log Koc:  2.353       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.031E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.081  years  
  Kb Half-Life at pH 7:      10.812  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.448 (BCF = 28.08 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8791 days (HL = 0.1321 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.414 (BCF = 25.95)
   Log BAF Arnot-Gobas method (upper trophic) = 1.414 (BAF = 25.95)
       log Kow used: 2.70 (expkow database)

 Volatilization from Water:
    Henry LC:  1.94E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      38.23  hours   (1.593 days)
    Half-Life from Model Lake :      519.9  hours   (21.66 days)

 Removal In Wastewater Treatment:
    Total removal:               4.83  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.68  percent
    Total to Air:                1.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.12            129          1000       
   Water     26.5            360          1000       
   Soil      68.3            720          1000       
   Sediment  0.163           3.24e+003    0          
     Persistence Time: 451 hr