CAS Num: 007492-69-5
SMILES : CC(=C(C)C)C(=O)OCc1ccccc1
CHEM   : 2-Butenoic acid, 2,3-dimethyl-, phenylmethyl ester
MOL FOR: C13 H16 O2 
MOL WT : 204.27
------------------------------ 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) =  3.94

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  281.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  24.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00522  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.695  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  17.87
       log Kow used: 3.94 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  48.514 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.87E-005  atm-m3/mole  (2.91E+000 Pa-m3/mole)
   Group Method:   5.48E-006  atm-m3/mole  (5.55E-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:  7.851E-005 atm-m3/mole  (7.955E+000 Pa-m3/mole)
      VP:   0.00522 mm Hg (source: MPBPVP)
      WS:   17.9 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.94  (KowWin est)
  Log Kaw used:  -2.931  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.871
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9526
   Biowin2 (Non-Linear Model)     :   0.9975
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9100  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7869  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4348
   Biowin6 (MITI Non-Linear Model):   0.4035
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5029
 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):  0.696 Pa (0.00522 mm Hg)
  Log Koa (Koawin est  ): 6.871
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.31E-006 
       Octanol/air (Koa) model:  1.82E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000156 
       Mackay model           :  0.000345 
       Octanol/air (Koa) model:  0.000146 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  45.2475 E-12 cm3/molecule-sec
      Half-Life =     0.236 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.837 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    48.059372 E-17 cm3/molecule-sec
      Half-Life =     0.024 Days (at 7E11 mol/cm3)
      Half-Life =     34.337 Min
   Fraction sorbed to airborne particulates (phi):
      0.00025 (Junge-Pankow, Mackay avg)
      0.000146 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1020  L/kg (MCI method)
      Log Koc:  3.009       (MCI method)
      Koc    :  1094  L/kg (Kow method)
      Log Koc:  3.039       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.545E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.356  years  
  Kb Half-Life at pH 7:      33.558  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.268 (BCF = 185.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9099 days (HL = 0.1231 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.700 (BCF = 50.06)
   Log BAF Arnot-Gobas method (upper trophic) = 1.700 (BAF = 50.06)
       log Kow used: 3.94 (estimated)

 Volatilization from Water:
    Henry LC:  5.48E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      154.2  hours   (6.423 days)
    Half-Life from Model Lake :       1802  hours   (75.06 days)

 Removal In Wastewater Treatment:
    Total removal:              27.59  percent
    Total biodegradation:        0.30  percent
    Total sludge adsorption:    27.07  percent
    Total to Air:                0.22  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0552          0.52         1000       
   Water     24.6            360          1000       
   Soil      74.5            720          1000       
   Sediment  0.883           3.24e+003    0          
     Persistence Time: 459 hr