CAS Num: 003943-74-6
SMILES : Oc(ccc1C(=O)OC)c(c1)OC
CHEM   : BENZOIC ACID, 4-HYDROXY-3-METHOXY-, METHYL ESTER
MOL FOR: C9 H10 O4 
MOL WT : 182.18
------------------------------ 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) =  1.82

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  285.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  73.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000631  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0841  (Modified Grain method)
    MP  (exp database):  64 deg C
    BP  (exp database):  286 deg C
    Subcooled liquid VP: 0.00146 mm Hg (25 deg C, Mod-Grain method)
                       : 0.195 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1495
       log Kow used: 1.82 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2394.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.14E-010  atm-m3/mole  (2.16E-005 Pa-m3/mole)
   Group Method:   1.81E-009  atm-m3/mole  (1.84E-004 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:  1.012E-007 atm-m3/mole  (1.025E-002 Pa-m3/mole)
      VP:   0.000631 mm Hg (source: MPBPVP)
      WS:   1.5E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.82  (KowWin est)
  Log Kaw used:  -8.058  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.878
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0827
   Biowin2 (Non-Linear Model)     :   0.9995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9351  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9307  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7988
   Biowin6 (MITI Non-Linear Model):   0.8725
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8212
 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):  0.195 Pa (0.00146 mm Hg)
  Log Koa (Koawin est  ): 9.878
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.54E-005 
       Octanol/air (Koa) model:  0.00185 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000556 
       Mackay model           :  0.00123 
       Octanol/air (Koa) model:  0.129 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.4491 E-12 cm3/molecule-sec
      Half-Life =     1.024 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.284 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000894 (Junge-Pankow, Mackay avg)
      0.129 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  56.42  L/kg (MCI method)
      Log Koc:  1.751       (MCI method)
      Koc    :  122.7  L/kg (Kow method)
      Log Koc:  2.089       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.137E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.931  years  
  Kb Half-Life at pH 7:      19.315  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.869 (BCF = 7.394 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8854 days (HL = 0.01302 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.412 (BCF = 2.585)
   Log BAF Arnot-Gobas method (upper trophic) = 0.412 (BAF = 2.585)
       log Kow used: 1.82 (estimated)

 Volatilization from Water:
    Henry LC:  1.81E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 4.366E+005  hours   (1.819E+004 days)
    Half-Life from Model Lake : 4.763E+006  hours   (1.985E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               2.11  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.02  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0335          24.6         1000       
   Water     21.5            360          1000       
   Soil      78.4            720          1000       
   Sediment  0.0892          3.24e+003    0          
     Persistence Time: 716 hr