CAS Number: 61114-24-7
SMILES : CC(C)CC(=O)Oc1c(cc(cc1)CC=C)OC
CHEM   : (2-methoxy-4-prop-2-enylphenyl) 3-methylbutanoate
MOL FOR: C15 H20 O3 
MOL WT : 248.32
------------------------------ 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) =  4.46
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  319.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  78.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000213  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0284  (Modified Grain method)
    Subcooled liquid VP: 0.000694 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0926 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.727
       log Kow used: 4.46 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.4024 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.30E-005  atm-m3/mole  (1.32E+000 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.867E-005 atm-m3/mole  (1.892E+000 Pa-m3/mole)
      VP:   0.000213 mm Hg (source: MPBPVP)
      WS:   3.73 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.46  (KowWin est)
  Log Kaw used:  -3.275  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.735
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9901
   Biowin2 (Non-Linear Model)     :   0.9983
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6576  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7270  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4998
   Biowin6 (MITI Non-Linear Model):   0.4589
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1787
 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):  0.0925 Pa (0.000694 mm Hg)
  Log Koa (Koawin est  ): 7.735
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.24E-005 
       Octanol/air (Koa) model:  1.33E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00117 
       Mackay model           :  0.00259 
       Octanol/air (Koa) model:  0.00107 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  70.3887 E-12 cm3/molecule-sec
      Half-Life =     0.152 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.823 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00188 (Junge-Pankow, Mackay avg)
      0.00107 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1222  L/kg (MCI method)
      Log Koc:  3.087       (MCI method)
      Koc    :  2412  L/kg (Kow method)
      Log Koc:  3.382       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.725E-001  L/mol-sec
  Kb Half-Life at pH 8:      29.443  days   
  Kb Half-Life at pH 7:     294.430  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.612 (BCF = 409.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5542 days (HL = 0.2792 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.059 (BCF = 114.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.059 (BAF = 114.5)
       log Kow used: 4.46 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.3E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      72.58  hours   (3.024 days)
    Half-Life from Model Lake :      923.9  hours   (38.5 days)
 
 Removal In Wastewater Treatment:
    Total removal:              54.11  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    53.30  percent
    Total to Air:                0.31  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.15            3.15         1000       
   Water     17.3            900          1000       
   Soil      81.3            1.8e+003     1000       
   Sediment  1.18            8.1e+003     0          
     Persistence Time: 1.03e+003 hr