CAS Num: 000120-24-1
SMILES : O=C(Oc(c(OC)cc(c1)C=CC)c1)Cc(cccc2)c2
CHEM   : Benzeneacetic acid, 2-methoxy-4-(1-propenyl)phenyl ester
MOL FOR: C18 H18 O3 
MOL WT : 282.34
------------------------------ 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) =  4.69

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  382.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  125.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.26E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000302  (Modified Grain method)
    Subcooled liquid VP: 2.26E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00301 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.526
       log Kow used: 4.69 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.52266 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.49E-007  atm-m3/mole  (2.52E-002 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:  5.502E-007 atm-m3/mole  (5.575E-002 Pa-m3/mole)
      VP:   2.26E-006 mm Hg (source: MPBPVP)
      WS:   1.53 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.69  (KowWin est)
  Log Kaw used:  -4.992  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.682
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1020
   Biowin2 (Non-Linear Model)     :   0.9995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6045  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6828  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4344
   Biowin6 (MITI Non-Linear Model):   0.2842
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2127
 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):  0.00301 Pa (2.26E-005 mm Hg)
  Log Koa (Koawin est  ): 9.682
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000996 
       Octanol/air (Koa) model:  0.00118 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0347 
       Mackay model           :  0.0738 
       Octanol/air (Koa) model:  0.0863 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  75.7391 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  83.3391 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.695 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.540 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.0542 (Junge-Pankow, Mackay avg)
      0.0863 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8984  L/kg (MCI method)
      Log Koc:  3.953       (MCI method)
      Koc    :  3233  L/kg (Kow method)
      Log Koc:  3.510       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.319E+000  L/mol-sec
  Kb Half-Life at pH 8:       3.459  days   
  Kb Half-Life at pH 7:      34.593  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.763 (BCF = 580 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4468 days (HL = 0.3574 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.167 (BCF = 147)
   Log BAF Arnot-Gobas method (upper trophic) = 2.168 (BAF = 147.1)
       log Kow used: 4.69 (estimated)

 Volatilization from Water:
    Henry LC:  2.49E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       3953  hours   (164.7 days)
    Half-Life from Model Lake : 4.326E+004  hours   (1803 days)

 Removal In Wastewater Treatment:
    Total removal:              65.52  percent
    Total biodegradation:        0.59  percent
    Total sludge adsorption:    64.92  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.072           1.84         1000       
   Water     15.8            900          1000       
   Soil      76              1.8e+003     1000       
   Sediment  8.2             8.1e+003     0          
     Persistence Time: 1.16e+003 hr