CAS Num: 000141-78-6
SMILES : O=C(OCC)C
CHEM   : Acetic acid ethyl ester
MOL FOR: C4 H8 O2 
MOL WT : 88.11
------------------------------ 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) =  0.86
    Log Kow (Exper. database match) =  0.73
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  77.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -82.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  98.3  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.31E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -83.6 deg C
    BP  (exp database):  77.1 deg C
    VP  (exp database):  9.32E+01 mm Hg (1.24E+004 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.993e+004
       log Kow used: 0.73 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  8e+004 mg/L (25 deg C)
        Exper. Ref:  BANERJEE,S (1984)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  38942 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.33E-004  atm-m3/mole  (2.36E+001 Pa-m3/mole)
   Group Method:   1.58E-004  atm-m3/mole  (1.60E+001 Pa-m3/mole)
   Exper Database: 1.34E-04  atm-m3/mole  (1.36E+001 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:  3.808E-004 atm-m3/mole  (3.858E+001 Pa-m3/mole)
      VP:   98.3 mm Hg (source: MPBPVP)
      WS:   2.99E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.73  (exp database)
  Log Kaw used:  -2.261  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.991
      Log Koa (experimental database):  2.700

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8798
   Biowin2 (Non-Linear Model)     :   0.9971
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1447  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9496  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8440
   Biowin6 (MITI Non-Linear Model):   0.9477
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8748
 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):  1.24E+004 Pa (93.2 mm Hg)
  Log Koa (Exp database): 2.700
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.41E-010 
       Octanol/air (Koa) model:  1.23E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.72E-009 
       Mackay model           :  1.93E-008 
       Octanol/air (Koa) model:  9.84E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.7038 E-12 cm3/molecule-sec
      Half-Life =     6.278 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    75.331 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.4E-008 (Junge-Pankow, Mackay avg)
      9.84E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5.583  L/kg (MCI method)
      Log Koc:  0.747       (MCI method)
      Koc    :  18.34  L/kg (Kow method)
      Log Koc:  1.263       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.208E-001  L/mol-sec
  Kb Half-Life at pH 8:      66.387  days   
  Kb Half-Life at pH 7:       1.818  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.7848 days (HL = 0.01641 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.047 (BCF = 1.114)
   Log BAF Arnot-Gobas method (upper trophic) = 0.047 (BAF = 1.114)
       log Kow used: 0.73 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000134 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      5.059  hours
    Half-Life from Model Lake :      133.9  hours   (5.579 days)

 Removal In Wastewater Treatment:
    Total removal:               8.07  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.68  percent
    Total to Air:                6.30  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       15.2            160          1000       
   Water     41.1            360          1000       
   Soil      43.7            720          1000       
   Sediment  0.0848          3.24e+003    0          
     Persistence Time: 264 hr