CAS Num: 001321-30-8
SMILES : OC(=O)C=C(C(=O)O)CC(=O)OCC
CHEM   : 1-Propene-1,2,3-tricarboxylic acid, monoethyl ester
MOL FOR: C8 H10 O6 
MOL WT : 202.17
------------------------------ 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) =  0.63

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  363.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  129.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.76E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000768  (Modified Grain method)
    Subcooled liquid VP: 6.33E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00843 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.049e+004
       log Kow used: 0.63 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  86186 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.70E-015  atm-m3/mole  (6.78E-010 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:  5.025E-011 atm-m3/mole  (5.092E-006 Pa-m3/mole)
      VP:   5.76E-006 mm Hg (source: MPBPVP)
      WS:   3.05E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.63  (KowWin est)
  Log Kaw used:  -12.562  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.192
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9709
   Biowin2 (Non-Linear Model)     :   0.9959
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.6218  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.5562  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9222
   Biowin6 (MITI Non-Linear Model):   0.9098
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2804
 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):  0.00844 Pa (6.33E-005 mm Hg)
  Log Koa (Koawin est  ): 13.192
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000355 
       Octanol/air (Koa) model:  3.82 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0127 
       Mackay model           :  0.0276 
       Octanol/air (Koa) model:  0.997 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.6365 E-12 cm3/molecule-sec
      Half-Life =     0.784 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.412 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.0202 (Junge-Pankow, Mackay avg)
      0.997 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  11.22  L/kg (MCI method)
      Log Koc:  1.050       (MCI method)
      Koc    :  2.745  L/kg (Kow method)
      Log Koc:  0.439       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.967E-001  L/mol-sec
  Kb Half-Life at pH 8:      40.783  days   
  Kb Half-Life at pH 7:       1.117  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) = -1.4685 days (HL = 0.034 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.062 (BCF = 1.153)
   Log BAF Arnot-Gobas method (upper trophic) = 0.062 (BAF = 1.153)
       log Kow used: 0.63 (estimated)

 Volatilization from Water:
    Henry LC:  6.7E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.243E+011  hours   (5.177E+009 days)
    Half-Life from Model Lake : 1.355E+012  hours   (5.648E+010 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       2.23e-007       10.6         1000       
   Water     27.7            208          1000       
   Soil      72.3            416          1000       
   Sediment  0.0595          1.87e+003    0          
     Persistence Time: 416 hr