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CAS Num: 000118-61-6
SMILES : O=C(OCC)c(c(O)ccc1)c1
CHEM   : Benzoic acid, 2-hydroxy-, ethyl ester
MOL FOR: C9 H10 O3 
MOL WT : 166.18
------------------------------ 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) =  3.09
    Log Kow (Exper. database match) =  2.95
       Exper. Ref:  KORENMAN,YI & DANILOV,VN (1990)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  269.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  61.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0311  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.15  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  1 deg C
    BP  (exp database):  232.5 deg C
    VP  (exp database):  8.46E-02 mm Hg (1.13E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  737.1
       log Kow used: 2.95 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1348.1 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.04E-006  atm-m3/mole  (6.12E-001 Pa-m3/mole)
   Group Method:   3.01E-009  atm-m3/mole  (3.05E-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:  9.226E-006 atm-m3/mole  (9.348E-001 Pa-m3/mole)
      VP:   0.0311 mm Hg (source: MPBPVP)
      WS:   737 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.95  (exp database)
  Log Kaw used:  -3.607  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.557
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9584
   Biowin2 (Non-Linear Model)     :   0.9964
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0285  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8766  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7084
   Biowin6 (MITI Non-Linear Model):   0.8310
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6534
 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):  11.3 Pa (0.0846 mm Hg)
  Log Koa (Koawin est  ): 6.557
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.66E-007 
       Octanol/air (Koa) model:  8.85E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.61E-006 
       Mackay model           :  2.13E-005 
       Octanol/air (Koa) model:  7.08E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.5753 E-12 cm3/molecule-sec
      Half-Life =     0.851 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.207 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.54E-005 (Junge-Pankow, Mackay avg)
      7.08E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  160.5  L/kg (MCI method)
      Log Koc:  2.205       (MCI method)
      Koc    :  455.1  L/kg (Kow method)
      Log Koc:  2.658       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.776E-002  L/mol-sec
  Kb Half-Life at pH 8:     212.462  days   
  Kb Half-Life at pH 7:       5.817  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.613 (BCF = 41.06 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3827 days (HL = 0.04143 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.163 (BCF = 14.54)
   Log BAF Arnot-Gobas method (upper trophic) = 1.163 (BAF = 14.54)
       log Kow used: 2.95 (expkow database)

 Volatilization from Water:
    Henry LC:  6.04E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      126.3  hours   (5.261 days)
    Half-Life from Model Lake :       1486  hours   (61.9 days)

 Removal In Wastewater Treatment:
    Total removal:               5.60  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.16  percent
    Total to Air:                0.33  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.71            20.4         1000       
   Water     26.5            360          1000       
   Soil      71.6            720          1000       
   Sediment  0.214           3.24e+003    0          
     Persistence Time: 452 hr