CAS Number: 3290-92-4
SMILES : O=C(OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C)C(=C)C
CHEM   : 2-Propenoic acid, 2-methyl-, 2-ethyl-2-  (2-methyl-1-oxo-2-propenyl)o
         xy methyl -1,3-propanediyl ester
MOL FOR: C18 H26 O6 
MOL WT : 338.40
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.50
    Log Kow (Exper. database match) =  4.39
       Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  349.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -8.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000137  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0183  (Modified Grain method)
    MP  (exp database):  <-10 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.297
       log Kow used: 4.39 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  13 mg/L (25 deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.2245 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Methacrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.31E-009  atm-m3/mole  (2.34E-004 Pa-m3/mole)
   Group Method:   1.65E-009  atm-m3/mole  (1.68E-004 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:  4.703E-005 atm-m3/mole  (4.766E+000 Pa-m3/mole)
      VP:   0.000137 mm Hg (source: MPBPVP)
      WS:   1.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.39  (exp database)
  Log Kaw used:  -7.025  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.415
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9251
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6599  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8929  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0407
   Biowin6 (MITI Non-Linear Model):   0.9213
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3619
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0183 Pa (0.000137 mm Hg)
  Log Koa (Koawin est  ): 11.415
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000164 
       Octanol/air (Koa) model:  0.0638 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0059 
       Mackay model           :  0.013 
       Octanol/air (Koa) model:  0.836 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  61.2084 E-12 cm3/molecule-sec
      Half-Life =     0.175 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.097 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     3.412500 E-17 cm3/molecule-sec
      Half-Life =     0.336 Days (at 7E11 mol/cm3)
      Half-Life =      8.060 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00943 (Junge-Pankow, Mackay avg)
      0.836 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5784  L/kg (MCI method)
      Log Koc:  3.762       (MCI method)
      Koc    :  1668  L/kg (Kow method)
      Log Koc:  3.222       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.189E-003  L/mol-sec
  Kb Half-Life at pH 8:       6.888  years  
  Kb Half-Life at pH 7:      68.876  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.564 (BCF = 366 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.9654 days (HL = 0.01083 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.59)
   Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.59)
       log Kow used: 4.39 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.65E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 6.527E+005  hours   (2.72E+004 days)
    Half-Life from Model Lake : 7.121E+006  hours   (2.967E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:              50.14  percent
    Total biodegradation:        0.48  percent
    Total sludge adsorption:    49.66  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       0.0107          2.76         1000       
   Water     11.3            900          1000       
   Soil      84.9            1.8e+003     1000       
   Sediment  3.77            8.1e+003     0          
     Persistence Time: 1.79e+003 hr