CAS Number: 2807-54-7
SMILES : O=C(OCC=C)C=CC(=O)OCC=C
CHEM   : 2-Butenedioic acid (E)-, di-2-propenyl ester
MOL FOR: C10 H12 O4 
MOL WT : 196.20
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  2.90
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  229.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -52.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0819  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  10.9  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  108-110 @ 3 mm Hg deg C
    VP  (exp database):  6.83E-03 mm Hg (9.11E-001 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  151.2
       log Kow used: 2.90 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1596.7 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.39E-007  atm-m3/mole  (2.42E-002 Pa-m3/mole)
   Group Method:   2.56E-008  atm-m3/mole  (2.60E-003 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:  1.398E-004 atm-m3/mole  (1.417E+001 Pa-m3/mole)
      VP:   0.0819 mm Hg (source: MPBPVP)
      WS:   151 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.90  (KowWin est)
  Log Kaw used:  -5.010  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.910
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0025
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0460  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0226  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9642
   Biowin6 (MITI Non-Linear Model):   0.9448
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6436
 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):  0.911 Pa (0.00683 mm Hg)
  Log Koa (Koawin est  ): 7.910
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.29E-006 
       Octanol/air (Koa) model:  2E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000119 
       Mackay model           :  0.000263 
       Octanol/air (Koa) model:  0.00159 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  62.4978 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  63.4288 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.054 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    2.024 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.487500 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     2.575000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    11.057 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    10.681 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.000191 (Junge-Pankow, Mackay avg)
      0.00159 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  31.59  L/kg (MCI method)
      Log Koc:  1.500       (MCI method)
      Koc    :  250  L/kg (Kow method)
      Log Koc:  2.398       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.221E+000  L/mol-sec
  Kb Half-Life at pH 8:       3.612  days   
  Kb Half-Life at pH 7:      36.120  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.584 (BCF = 38.34 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8293 days (HL = 0.01481 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.791 (BCF = 6.183)
   Log BAF Arnot-Gobas method (upper trophic) = 0.791 (BAF = 6.183)
       log Kow used: 2.90 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.56E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 3.204E+004  hours   (1335 days)
    Half-Life from Model Lake : 3.496E+005  hours   (1.457E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.93  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.81  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       0.202           2.99         1000       
   Water     29.4            360          1000       
   Soil      70.3            720          1000       
   Sediment  0.0926          3.24e+003    0          
     Persistence Time: 494 hr