CAS Num: 004707-47-5
SMILES : O=C(OC)c(c(cc(O)c1C)C)c1O
CHEM   : Benzoic acid, 2,4-dihydroxy-3,6-dimethyl-, methyl ester
MOL FOR: C10 H12 O4 
MOL WT : 196.20
------------------------------ 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) =  3.22

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  327.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  119.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.03E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000671  (Modified Grain method)
    Subcooled liquid VP: 4.4E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00587 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  310.6
       log Kow used: 3.22 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2818.3 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.76E-010  atm-m3/mole  (5.84E-005 Pa-m3/mole)
   Group Method:   3.15E-013  atm-m3/mole  (3.19E-008 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:  4.181E-009 atm-m3/mole  (4.236E-004 Pa-m3/mole)
      VP:   5.03E-006 mm Hg (source: MPBPVP)
      WS:   311 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.22  (KowWin est)
  Log Kaw used:  -7.628  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.848
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1693
   Biowin2 (Non-Linear Model)     :   0.9993
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8689  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7359  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6922
   Biowin6 (MITI Non-Linear Model):   0.7386
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2508
 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):  0.00587 Pa (4.4E-005 mm Hg)
  Log Koa (Koawin est  ): 10.848
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000511 
       Octanol/air (Koa) model:  0.0173 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0181 
       Mackay model           :  0.0393 
       Octanol/air (Koa) model:  0.581 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 200.7696 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.639 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0287 (Junge-Pankow, Mackay avg)
      0.581 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  309.3  L/kg (MCI method)
      Log Koc:  2.490       (MCI method)
      Koc    :  942.5  L/kg (Kow method)
      Log Koc:  2.974       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.762E-003  L/mol-sec
  Kb Half-Life at pH 8:       4.612  years  
  Kb Half-Life at pH 7:      46.120  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.790 (BCF = 61.69 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.4916 days (HL = 0.003224 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.800 (BCF = 6.313)
   Log BAF Arnot-Gobas method (upper trophic) = 0.800 (BAF = 6.313)
       log Kow used: 3.22 (estimated)

 Volatilization from Water:
    Henry LC:  5.76E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.424E+006  hours   (5.932E+004 days)
    Half-Life from Model Lake : 1.553E+007  hours   (6.472E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               8.06  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.92  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       0.00964         1.28         1000       
   Water     17.8            360          1000       
   Soil      82              720          1000       
   Sediment  0.237           3.24e+003    0          
     Persistence Time: 734 hr