CAS Num: 057582-46-4
SMILES : CC(=O)CC(=O)OCC=Cc1ccccc1
CHEM   : 
MOL FOR: C13 H14 O3 
MOL WT : 218.25
------------------------------ 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) =  1.78

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  318.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  74.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000254  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0339  (Modified Grain method)
    Subcooled liquid VP: 0.000746 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0994 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1060
       log Kow used: 1.78 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  753.03 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.94E-009  atm-m3/mole  (7.03E-004 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  6.881E-008 atm-m3/mole  (6.972E-003 Pa-m3/mole)
      VP:   0.000254 mm Hg (source: MPBPVP)
      WS:   1.06E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.78  (KowWin est)
  Log Kaw used:  -6.547  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.327
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9527
   Biowin2 (Non-Linear Model)     :   0.9952
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8566  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7445  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6770
   Biowin6 (MITI Non-Linear Model):   0.7390
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1824
 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):  0.0995 Pa (0.000746 mm Hg)
  Log Koa (Koawin est  ): 8.327
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.02E-005 
       Octanol/air (Koa) model:  5.21E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00109 
       Mackay model           :  0.00241 
       Octanol/air (Koa) model:  0.00415 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  60.0467 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  67.6467 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.138 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.897 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.00175 (Junge-Pankow, Mackay avg)
      0.00415 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  150.7  L/kg (MCI method)
      Log Koc:  2.178       (MCI method)
      Koc    :  109.6  L/kg (Kow method)
      Log Koc:  2.040       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.546E+000  L/mol-sec
  Kb Half-Life at pH 8:       5.190  days   
  Kb Half-Life at pH 7:      51.902  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.842 (BCF = 6.948 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6979 days (HL = 0.02005 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.484 (BCF = 3.045)
   Log BAF Arnot-Gobas method (upper trophic) = 0.484 (BAF = 3.045)
       log Kow used: 1.78 (estimated)

 Volatilization from Water:
    Henry LC:  6.94E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.246E+005  hours   (5193 days)
    Half-Life from Model Lake :  1.36E+006  hours   (5.666E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               2.09  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.99  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0789          2.07         1000       
   Water     21.5            360          1000       
   Soil      78.2            720          1000       
   Sediment  0.167           3.24e+003    0          
     Persistence Time: 604 hr