CAS Num: 002396-77-2
SMILES : O=C(OC)C=CCCC
CHEM   : 2-Hexenoic acid, methyl ester
MOL FOR: C7 H12 O2 
MOL WT : 128.17
------------------------------ 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) =  2.12

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  155.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -45.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.15  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  421  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1439
       log Kow used: 2.12 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3068.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.55E-004  atm-m3/mole  (2.59E+001 Pa-m3/mole)
   Group Method:   1.09E-004  atm-m3/mole  (1.11E+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:  3.692E-004 atm-m3/mole  (3.741E+001 Pa-m3/mole)
      VP:   3.15 mm Hg (source: MPBPVP)
      WS:   1.44E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.12  (KowWin est)
  Log Kaw used:  -1.982  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.102
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9691
   Biowin2 (Non-Linear Model)     :   0.9992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3545  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1608  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7866
   Biowin6 (MITI Non-Linear Model):   0.9026
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4360
 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):  384 Pa (2.88 mm Hg)
  Log Koa (Koawin est  ): 4.102
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.81E-009 
       Octanol/air (Koa) model:  3.1E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.82E-007 
       Mackay model           :  6.25E-007 
       Octanol/air (Koa) model:  2.48E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.4225 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  25.0825 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    5.724 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    5.117 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.568750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.015 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.007 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      4.54E-007 (Junge-Pankow, Mackay avg)
      2.48E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  35.37  L/kg (MCI method)
      Log Koc:  1.549       (MCI method)
      Koc    :  107.7  L/kg (Kow method)
      Log Koc:  2.032       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.354E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.348  years  
  Kb Half-Life at pH 7:      23.480  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.067 (BCF = 11.68 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2035 days (HL = 0.06258 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.916 (BCF = 8.244)
   Log BAF Arnot-Gobas method (upper trophic) = 0.916 (BAF = 8.244)
       log Kow used: 2.12 (estimated)

 Volatilization from Water:
    Henry LC:  0.000109 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      7.236  hours
    Half-Life from Model Lake :      173.9  hours   (7.245 days)

 Removal In Wastewater Treatment:
    Total removal:               7.52  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.18  percent
    Total to Air:                5.24  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.39            9.26         1000       
   Water     32.4            208          1000       
   Soil      65.1            416          1000       
   Sediment  0.0975          1.87e+003    0          
     Persistence Time: 222 hr