CAS Number: 35285-68-8
SMILES : O([Na])c1ccc(C(=O)OCC)cc1
CHEM   : Benzoic acid, 4-hydroxy-, ethyl ester, sodium salt
MOL FOR: C9 H9 O3 Na1 
MOL WT : 188.16
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  -0.85
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  500.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  212.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.75E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.66E-008  (Modified Grain method)
    Subcooled liquid VP: 2.72E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 3.63E-006 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.656e+005
       log Kow used: -0.85 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1382.4 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.55E-009  atm-m3/mole  (8.66E-004 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:  2.563E-016 atm-m3/mole  (2.597E-011 Pa-m3/mole)
      VP:   2.75E-010 mm Hg (source: MPBPVP)
      WS:   2.66E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.85  (KowWin est)
  Log Kaw used:  -6.456  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.606
      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):  3.63E-006 Pa (2.72E-008 mm Hg)
  Log Koa (Koawin est  ): 5.606
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.827 
       Octanol/air (Koa) model:  9.91E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.968 
       Mackay model           :  0.985 
       Octanol/air (Koa) model:  7.93E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.6132 E-12 cm3/molecule-sec
      Half-Life =     1.242 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.902 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.976 (Junge-Pankow, Mackay avg)
      7.93E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  157.3  L/kg (MCI method)
      Log Koc:  2.197       (MCI method)
      Koc    :  3.599  L/kg (Kow method)
      Log Koc:  0.556       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.963E-002  L/mol-sec
  Kb Half-Life at pH 8:     202.433  days   
  Kb Half-Life at pH 7:       5.542  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.297 (BCF = 19.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1139 days (HL = 0.07693 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.168 (BCF = 14.71)
   Log BAF Arnot-Gobas method (upper trophic) = 1.168 (BAF = 14.71)
       log Kow used: 2.47 (expkow database)
 
 Volatilization from Water:
    Henry LC:  8.55E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 9.393E+004  hours   (3914 days)
    Half-Life from Model Lake : 1.025E+006  hours   (4.27E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       0.793           29.8         1000       
   Water     21.2            360          1000       
   Soil      77.8            720          1000       
   Sediment  0.169           3.24e+003    0          
     Persistence Time: 612 hr