CAS Number: 1985-51-9
SMILES : O=C(OCC(C)(C)COC(=O)C(=C)C)C(=C)C
CHEM   : 2-Propenoic acid, 2-methyl-, 2,2-dimethyl-1,3-propanediyl ester
MOL FOR: C13 H20 O4 
MOL WT : 240.30
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  3.57
    Log Kow (Exper. database match) =  2.79
       Exper. Ref:  SANGSTER (1993)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  249.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -39.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0276  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.68  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  87 @ 0.6 mm Hg deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  110.8
       log Kow used: 2.79 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  143.89 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Methacrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.85E-007  atm-m3/mole  (8.97E-002 Pa-m3/mole)
   Group Method:   1.25E-006  atm-m3/mole  (1.27E-001 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:  7.876E-005 atm-m3/mole  (7.980E+000 Pa-m3/mole)
      VP:   0.0276 mm Hg (source: MPBPVP)
      WS:   111 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.79  (exp database)
  Log Kaw used:  -4.442  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.232
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7976
   Biowin2 (Non-Linear Model)     :   0.9976
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7364  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.8055  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8776
   Biowin6 (MITI Non-Linear Model):   0.8733
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2852
 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):  3.59 Pa (0.0269 mm Hg)
  Log Koa (Koawin est  ): 7.232
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.36E-007 
       Octanol/air (Koa) model:  4.19E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.02E-005 
       Mackay model           :  6.69E-005 
       Octanol/air (Koa) model:  0.000335 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.2628 E-12 cm3/molecule-sec
      Half-Life =     0.266 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.188 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.275000 E-17 cm3/molecule-sec
      Half-Life =     0.504 Days (at 7E11 mol/cm3)
      Half-Life =     12.090 Hrs
   Fraction sorbed to airborne particulates (phi):
      4.86E-005 (Junge-Pankow, Mackay avg)
      0.000335 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  99.11  L/kg (MCI method)
      Log Koc:  1.996       (MCI method)
      Koc    :  217.3  L/kg (Kow method)
      Log Koc:  2.337       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.126E-003  L/mol-sec
  Kb Half-Life at pH 8:      10.331  years  
  Kb Half-Life at pH 7:     103.315  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.508 (BCF = 32.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6911 days (HL = 0.02037 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.882 (BCF = 7.625)
   Log BAF Arnot-Gobas method (upper trophic) = 0.882 (BAF = 7.625)
       log Kow used: 2.79 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.25E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      727.7  hours   (30.32 days)
    Half-Life from Model Lake :       8068  hours   (336.2 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.32  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.14  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.217           4.17         1000       
   Water     24.7            900          1000       
   Soil      74.9            1.8e+003     1000       
   Sediment  0.165           8.1e+003     0          
     Persistence Time: 903 hr