CAS Num: 000105-54-4
SMILES : O=C(OCC)CCC
CHEM   : Butanoic acid, ethyl ester
MOL FOR: C6 H12 O2 
MOL WT : 116.16
------------------------------ 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) =  1.85

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  125.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -56.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  14.6  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.95E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -98 deg C
    BP  (exp database):  121.5 deg C
    VP  (exp database):  1.28E+01 mm Hg (1.71E+003 Pa) at 20 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2745
       log Kow used: 1.85 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4900 mg/L (20 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4329.4 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.10E-004  atm-m3/mole  (4.16E+001 Pa-m3/mole)
   Group Method:   3.15E-004  atm-m3/mole  (3.19E+001 Pa-m3/mole)
   Exper Database: 3.99E-04  atm-m3/mole  (4.04E+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:  8.129E-004 atm-m3/mole  (8.237E+001 Pa-m3/mole)
      VP:   14.6 mm Hg (source: MPBPVP)
      WS:   2.75E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.85  (KowWin est)
  Log Kaw used:  -1.787  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.637
      Log Koa (experimental database):  3.560

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8664
   Biowin2 (Non-Linear Model)     :   0.9957
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0827  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9091  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8594
   Biowin6 (MITI Non-Linear Model):   0.9501
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9268
 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):  1.71E+003 Pa (12.8 mm Hg)
  Log Koa (Exp database): 3.560
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.76E-009 
       Octanol/air (Koa) model:  8.91E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.35E-008 
       Mackay model           :  1.41E-007 
       Octanol/air (Koa) model:  7.13E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.3339 E-12 cm3/molecule-sec
      Half-Life =     3.208 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    38.499 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.02E-007 (Junge-Pankow, Mackay avg)
      7.13E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  19.41  L/kg (MCI method)
      Log Koc:  1.288       (MCI method)
      Koc    :  76.35  L/kg (Kow method)
      Log Koc:  1.883       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.266E-002  L/mol-sec
  Kb Half-Life at pH 8:     128.021  days   
  Kb Half-Life at pH 7:       3.505  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.885 (BCF = 7.678 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.4652 days (HL = 0.03426 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.628 (BCF = 4.243)
   Log BAF Arnot-Gobas method (upper trophic) = 0.628 (BAF = 4.243)
       log Kow used: 1.85 (estimated)

 Volatilization from Water:
    Henry LC:  0.000399 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.681  hours
    Half-Life from Model Lake :      119.6  hours   (4.984 days)

 Removal In Wastewater Treatment:
    Total removal:              17.07  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.78  percent
    Total to Air:               15.21  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       13.7            52           1000       
   Water     39.8            360          1000       
   Soil      46.4            720          1000       
   Sediment  0.105           3.24e+003    0          
     Persistence Time: 208 hr