CAS Number: 23676-09-7
SMILES : c1cc(OCC)ccc1C(=O)OCC
CHEM   : Ethyl 4-ethoxybenzoate
MOL FOR: C11 H14 O3 
MOL WT : 194.23
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  2.89
    Log Kow (Exper. database match) =  3.60
       Exper. Ref:  TSCATS
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  269.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  43.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0049  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.653  (Modified Grain method)
    BP  (exp database):  275 deg C
    Subcooled liquid VP: 0.00728 mm Hg (25 deg C, Mod-Grain method)
                       : 0.971 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  39.44
       log Kow used: 3.60 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  197.76 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.62E-006  atm-m3/mole  (3.67E-001 Pa-m3/mole)
   Group Method:   2.68E-005  atm-m3/mole  (2.72E+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:  3.175E-005 atm-m3/mole  (3.217E+000 Pa-m3/mole)
      VP:   0.0049 mm Hg (source: MPBPVP)
      WS:   39.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.60  (exp database)
  Log Kaw used:  -3.830  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.430
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9612
   Biowin2 (Non-Linear Model)     :   0.9986
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8520  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8736  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8058
   Biowin6 (MITI Non-Linear Model):   0.8875
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6971
 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):  0.971 Pa (0.00728 mm Hg)
  Log Koa (Koawin est  ): 7.430
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.09E-006 
       Octanol/air (Koa) model:  6.61E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000112 
       Mackay model           :  0.000247 
       Octanol/air (Koa) model:  0.000528 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.7866 E-12 cm3/molecule-sec
      Half-Life =     0.723 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.680 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000179 (Junge-Pankow, Mackay avg)
      0.000528 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  143  L/kg (MCI method)
      Log Koc:  2.155       (MCI method)
      Koc    :  806.7  L/kg (Kow method)
      Log Koc:  2.907       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.183E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.856  years  
  Kb Half-Life at pH 7:      18.565  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.042 (BCF = 110.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5823 days (HL = 0.2617 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.942 (BCF = 87.53)
   Log BAF Arnot-Gobas method (upper trophic) = 1.942 (BAF = 87.53)
       log Kow used: 3.60 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.68E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      31.87  hours   (1.328 days)
    Half-Life from Model Lake :      464.5  hours   (19.35 days)
 
 Removal In Wastewater Treatment:
    Total removal:              16.65  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    15.21  percent
    Total to Air:                1.24  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.71            17.4         1000       
   Water     26              360          1000       
   Soil      72              720          1000       
   Sediment  0.194           3.24e+003    0          
     Persistence Time: 433 hr