CAS Num: 002396-84-1
SMILES : O=C(OCC)C=CC=CC
CHEM   : 2,4-Hexadienoic acid, ethyl ester
MOL FOR: C8 H12 O2 
MOL WT : 140.18
------------------------------ 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) =  2.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  182.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -33.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.451  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  60.2  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  195.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  747.7
       log Kow used: 2.40 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2156.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.43E-004  atm-m3/mole  (2.46E+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:  1.113E-004 atm-m3/mole  (1.127E+001 Pa-m3/mole)
      VP:   0.451 mm Hg (source: MPBPVP)
      WS:   748 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.40  (KowWin est)
  Log Kaw used:  -2.003  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.403
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9634
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3279  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1435  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7138
   Biowin6 (MITI Non-Linear Model):   0.8187
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2630
 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):  54.9 Pa (0.412 mm Hg)
  Log Koa (Koawin est  ): 4.403
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.46E-008 
       Octanol/air (Koa) model:  6.21E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.97E-006 
       Mackay model           :  4.37E-006 
       Octanol/air (Koa) model:  4.97E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.4977 E-12 cm3/molecule-sec
      Half-Life =     0.208 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.492 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.265000 E-17 cm3/molecule-sec
      Half-Life =     0.218 Days (at 7E11 mol/cm3)
      Half-Life =      5.224 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.17E-006 (Junge-Pankow, Mackay avg)
      4.97E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  64.46  L/kg (MCI method)
      Log Koc:  1.809       (MCI method)
      Koc    :  153.8  L/kg (Kow method)
      Log Koc:  2.187       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  8.835E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.486  years  
  Kb Half-Life at pH 7:      24.859  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.250 (BCF = 17.77 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9760 days (HL = 0.1057 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.191 (BCF = 15.53)
   Log BAF Arnot-Gobas method (upper trophic) = 1.191 (BAF = 15.53)
       log Kow used: 2.40 (estimated)

 Volatilization from Water:
    Henry LC:  2.68E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      27.07  hours   (1.128 days)
    Half-Life from Model Lake :      394.6  hours   (16.44 days)

 Removal In Wastewater Treatment:
    Total removal:               4.25  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.71  percent
    Total to Air:                1.44  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.508           2.55         1000       
   Water     30.5            208          1000       
   Soil      68.9            416          1000       
   Sediment  0.121           1.87e+003    0          
     Persistence Time: 257 hr