CAS Number: 93762-34-6
SMILES : CC=CC(=O)OC(C)(C)Cc1ccccc1
CHEM   : (2-methyl-1-phenylpropan-2-yl) (E)-but-2-enoate
MOL FOR: C14 H18 O2 
MOL WT : 218.30
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  4.21
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  289.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  48.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00205  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.274  (Modified Grain method)
    Subcooled liquid VP: 0.00334 mm Hg (25 deg C, Mod-Grain method)
                       : 0.445 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.917
       log Kow used: 4.21 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13.72 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.74E-005  atm-m3/mole  (2.77E+000 Pa-m3/mole)
   Group Method:   2.74E-006  atm-m3/mole  (2.78E-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:  6.604E-005 atm-m3/mole  (6.691E+000 Pa-m3/mole)
      VP:   0.00205 mm Hg (source: MPBPVP)
      WS:   8.92 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.21  (KowWin est)
  Log Kaw used:  -2.951  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.161
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8166
   Biowin2 (Non-Linear Model)     :   0.9904
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5920  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5447  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4731
   Biowin6 (MITI Non-Linear Model):   0.4159
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0928
 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):  0.445 Pa (0.00334 mm Hg)
  Log Koa (Koawin est  ): 7.161
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.74E-006 
       Octanol/air (Koa) model:  3.56E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000243 
       Mackay model           :  0.000539 
       Octanol/air (Koa) model:  0.000284 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.2044 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  28.8644 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    4.898 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    4.447 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.568750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.015 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.007 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.000391 (Junge-Pankow, Mackay avg)
      0.000284 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1697  L/kg (MCI method)
      Log Koc:  3.230       (MCI method)
      Koc    :  1542  L/kg (Kow method)
      Log Koc:  3.188       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.371E-003  L/mol-sec
  Kb Half-Life at pH 8:       6.516  years  
  Kb Half-Life at pH 7:      65.162  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.445 (BCF = 278.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7863 days (HL = 0.1636 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.829 (BCF = 67.43)
   Log BAF Arnot-Gobas method (upper trophic) = 1.829 (BAF = 67.43)
       log Kow used: 4.21 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.74E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      317.2  hours   (13.22 days)
    Half-Life from Model Lake :       3584  hours   (149.4 days)
 
 Removal In Wastewater Treatment:
    Total removal:              40.53  percent
    Total biodegradation:        0.40  percent
    Total sludge adsorption:    40.04  percent
    Total to Air:                0.09  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.33            8.15         1000       
   Water     17.7            900          1000       
   Soil      80.3            1.8e+003     1000       
   Sediment  1.69            8.1e+003     0          
     Persistence Time: 1.07e+003 hr