CAS Num: 000097-86-9
SMILES : O=C(OCC(C)C)C(=C)C
CHEM   : 2-Propenoic acid, 2-methyl-, 2-methylpropyl ester
MOL FOR: C8 H14 O2 
MOL WT : 142.20
------------------------------ 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) =  2.67
    Log Kow (Exper. database match) =  2.66
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  149.47  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -54.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.18  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  423  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  155 deg C
    VP  (exp database):  3.63E+00 mm Hg (4.84E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  438.6
       log Kow used: 2.66 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1300 mg/L (25 deg C)
        Exper. Ref:  ULLMANN'S ENCYCL; A21:159

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1273.6 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.39E-004  atm-m3/mole  (3.44E+001 Pa-m3/mole)
   Group Method:   9.52E-004  atm-m3/mole  (9.64E+001 Pa-m3/mole)
   Exper Database: 5.23E-04  atm-m3/mole  (5.30E+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:  1.357E-003 atm-m3/mole  (1.375E+002 Pa-m3/mole)
      VP:   3.18 mm Hg (source: MPBPVP)
      WS:   439 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.66  (exp database)
  Log Kaw used:  -1.670  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.330
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8540
   Biowin2 (Non-Linear Model)     :   0.9938
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0251  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8715  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6452
   Biowin6 (MITI Non-Linear Model):   0.7878
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4823
 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):  484 Pa (3.63 mm Hg)
  Log Koa (Koawin est  ): 4.330
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.2E-009 
       Octanol/air (Koa) model:  5.25E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.24E-007 
       Mackay model           :  4.96E-007 
       Octanol/air (Koa) model:  4.2E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.6849 E-12 cm3/molecule-sec
      Half-Life =     0.472 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.658 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):
      3.6E-007 (Junge-Pankow, Mackay avg)
      4.2E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  46.53  L/kg (MCI method)
      Log Koc:  1.668       (MCI method)
      Koc    :  214.2  L/kg (Kow method)
      Log Koc:  2.331       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.752E-003  L/mol-sec
  Kb Half-Life at pH 8:      12.537  years  
  Kb Half-Life at pH 7:     125.369  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.422 (BCF = 26.43 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0787 days (HL = 0.08342 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.283 (BCF = 19.2)
   Log BAF Arnot-Gobas method (upper trophic) = 1.283 (BAF = 19.2)
       log Kow used: 2.66 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000523 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.552  hours
    Half-Life from Model Lake :      127.8  hours   (5.326 days)

 Removal In Wastewater Treatment:
    Total removal:              21.52  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     3.11  percent
    Total to Air:               18.32  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.14            7.71         1000       
   Water     36.9            360          1000       
   Soil      59.8            720          1000       
   Sediment  0.138           3.24e+003    0          
     Persistence Time: 209 hr