CAS Num: 000141-05-9
SMILES : O=C(OCC)C=CC(=O)OCC
CHEM   : 2-Butenedioic acid (Z)-, diethyl ester
MOL FOR: C8 H12 O4 
MOL WT : 172.18
------------------------------ 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) =  2.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  193.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -72.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.178  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  23.7  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  1.5 deg C
    BP  (exp database):  214 deg C
    VP  (exp database):  1.05E-01 mm Hg (1.40E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  800.8
       log Kow used: 2.20 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.4e+004 mg/L (30 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15521 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.44E-007  atm-m3/mole  (2.47E-002 Pa-m3/mole)
   Group Method:   2.45E-008  atm-m3/mole  (2.48E-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:  5.036E-005 atm-m3/mole  (5.102E+000 Pa-m3/mole)
      VP:   0.178 mm Hg (source: MPBPVP)
      WS:   801 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.20  (KowWin est)
  Log Kaw used:  -5.001  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.201
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0139
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0991  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0572  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9994
   Biowin6 (MITI Non-Linear Model):   0.9678
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9256
 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):  14 Pa (0.105 mm Hg)
  Log Koa (Koawin est  ): 7.201
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.14E-007 
       Octanol/air (Koa) model:  3.9E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.74E-006 
       Mackay model           :  1.71E-005 
       Octanol/air (Koa) model:  0.000312 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.2324 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  11.1634 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.045 Days (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   11.498 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.087500 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    13.097 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     6.549 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      1.24E-005 (Junge-Pankow, Mackay avg)
      0.000312 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  102.5  L/kg (Kow method)
      Log Koc:  2.011       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  7.742E-001  L/mol-sec
  Kb Half-Life at pH 8:      10.362  days   
  Kb Half-Life at pH 7:     103.622  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.116 (BCF = 13.05 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.0886 days (HL = 0.008154 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.478 (BCF = 3.004)
   Log BAF Arnot-Gobas method (upper trophic) = 0.478 (BAF = 3.004)
       log Kow used: 2.20 (estimated)

 Volatilization from Water:
    Henry LC:  2.45E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 3.136E+004  hours   (1307 days)
    Half-Life from Model Lake : 3.422E+005  hours   (1.426E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               2.48  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.38  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       0.424           23.2         1000       
   Water     32.2            360          1000       
   Soil      67.3            720          1000       
   Sediment  0.0725          3.24e+003    0          
     Persistence Time: 568 hr