CAS Num: 000531-26-0
SMILES : O=C(Oc(c(OC)cc(c1)CC=C)c1)c(cccc2)c2
CHEM   : Phenol, 2-methoxy-4-(2-propenyl)-, benzoate
MOL FOR: C17 H16 O3 
MOL WT : 268.31
------------------------------ 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) =  4.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  366.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  116.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.86E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000914  (Modified Grain method)
    Subcooled liquid VP: 5.48E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00731 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.583
       log Kow used: 4.52 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0664 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.10E-006  atm-m3/mole  (1.11E-001 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:  9.376E-007 atm-m3/mole  (9.500E-002 Pa-m3/mole)
      VP:   6.86E-006 mm Hg (source: MPBPVP)
      WS:   2.58 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.52  (KowWin est)
  Log Kaw used:  -4.347  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.867
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1087
   Biowin2 (Non-Linear Model)     :   0.9996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6355  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7031  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4819
   Biowin6 (MITI Non-Linear Model):   0.3752
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2188
 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):  0.00731 Pa (5.48E-005 mm Hg)
  Log Koa (Koawin est  ): 8.867
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000411 
       Octanol/air (Koa) model:  0.000181 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0146 
       Mackay model           :  0.0318 
       Octanol/air (Koa) model:  0.0143 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  69.0893 E-12 cm3/molecule-sec
      Half-Life =     0.155 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.858 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):
      0.0232 (Junge-Pankow, Mackay avg)
      0.0143 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5030  L/kg (MCI method)
      Log Koc:  3.702       (MCI method)
      Koc    :  2604  L/kg (Kow method)
      Log Koc:  3.416       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.105E-001  L/mol-sec
  Kb Half-Life at pH 8:      13.140  days   
  Kb Half-Life at pH 7:     131.396  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.649 (BCF = 445.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6106 days (HL = 0.2451 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.006 (BCF = 101.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.006 (BAF = 101.5)
       log Kow used: 4.52 (estimated)

 Volatilization from Water:
    Henry LC:  1.1E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      873.5  hours   (36.4 days)
    Half-Life from Model Lake :       9667  hours   (402.8 days)

 Removal In Wastewater Treatment:
    Total removal:              57.09  percent
    Total biodegradation:        0.53  percent
    Total sludge adsorption:    56.54  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.131           3.2          1000       
   Water     16.7            900          1000       
   Soil      78.3            1.8e+003     1000       
   Sediment  4.85            8.1e+003     0          
     Persistence Time: 1.11e+003 hr