CAS Num: 000080-62-6
SMILES : O=C(OC)C(=C)C
CHEM   : 2-Propenoic acid, 2-methyl-, methyl ester
MOL FOR: C5 H8 O2 
MOL WT : 100.12
------------------------------ 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) =  1.28
    Log Kow (Exper. database match) =  1.38
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  93.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -79.63  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  36.7  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.89E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -48 deg C
    BP  (exp database):  100.5 deg C
    VP  (exp database):  3.85E+01 mm Hg (5.13E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7747
       log Kow used: 1.38 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.5e+004 mg/L (25 deg C)
        Exper. Ref:  NEMEC,JW & KIRSCH,LS (1981)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  21850 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.45E-004  atm-m3/mole  (1.47E+001 Pa-m3/mole)
   Group Method:   2.94E-004  atm-m3/mole  (2.98E+001 Pa-m3/mole)
   Exper Database: 3.19E-04  atm-m3/mole  (3.23E+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:  6.241E-004 atm-m3/mole  (6.323E+001 Pa-m3/mole)
      VP:   36.7 mm Hg (source: MPBPVP)
      WS:   7.75E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.38  (exp database)
  Log Kaw used:  -1.885  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.265
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8741
   Biowin2 (Non-Linear Model)     :   0.9966
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1181  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9323  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7712
   Biowin6 (MITI Non-Linear Model):   0.8982
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7017
 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):  5.13E+003 Pa (38.5 mm Hg)
  Log Koa (Koawin est  ): 3.265
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.84E-010 
       Octanol/air (Koa) model:  4.52E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.11E-008 
       Mackay model           :  4.68E-008 
       Octanol/air (Koa) model:  3.61E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.3436 E-12 cm3/molecule-sec
      Half-Life =     0.583 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.997 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):
      3.39E-008 (Junge-Pankow, Mackay avg)
      3.61E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9.14  L/kg (MCI method)
      Log Koc:  0.961       (MCI method)
      Koc    :  41.96  L/kg (Kow method)
      Log Koc:  1.623       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.403E-003  L/mol-sec
  Kb Half-Life at pH 8:       6.455  years  
  Kb Half-Life at pH 7:      64.549  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.578 (BCF = 3.78 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.4423 days (HL = 0.03612 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.357 (BCF = 2.274)
   Log BAF Arnot-Gobas method (upper trophic) = 0.357 (BAF = 2.274)
       log Kow used: 1.38 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000319 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.858  hours
    Half-Life from Model Lake :      115.1  hours   (4.795 days)

 Removal In Wastewater Treatment:
    Total removal:              14.55  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.65  percent
    Total to Air:               12.82  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.5             7.01         1000       
   Water     49.2            360          1000       
   Soil      47.2            720          1000       
   Sediment  0.109           3.24e+003    0          
     Persistence Time: 175 hr