CAS Num: 006963-56-0
SMILES : O=C(OCc(ccc(OC)c1)c1)CCC
CHEM   : Butanoic acid, (4-methoxyphenyl)methyl ester
MOL FOR: C12 H16 O3 
MOL WT : 208.26
------------------------------ 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) =  3.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  285.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  54.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00223  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.297  (Modified Grain method)
    Subcooled liquid VP: 0.00416 mm Hg (25 deg C, Mod-Grain method)
                       : 0.554 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  81.94
       log Kow used: 3.14 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  46.193 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.48E-006  atm-m3/mole  (1.50E-001 Pa-m3/mole)
   Group Method:   2.45E-006  atm-m3/mole  (2.48E-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:  7.458E-006 atm-m3/mole  (7.556E-001 Pa-m3/mole)
      VP:   0.00223 mm Hg (source: MPBPVP)
      WS:   81.9 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.14  (KowWin est)
  Log Kaw used:  -4.218  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.358
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9545
   Biowin2 (Non-Linear Model)     :   0.9983
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8210  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8533  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7084
   Biowin6 (MITI Non-Linear Model):   0.8229
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6897
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.555 Pa (0.00416 mm Hg)
  Log Koa (Koawin est  ): 7.358
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.41E-006 
       Octanol/air (Koa) model:  5.6E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000195 
       Mackay model           :  0.000433 
       Octanol/air (Koa) model:  0.000448 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.1950 E-12 cm3/molecule-sec
      Half-Life =     0.354 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.251 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000314 (Junge-Pankow, Mackay avg)
      0.000448 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  255.3  L/kg (MCI method)
      Log Koc:  2.407       (MCI method)
      Koc    :  449  L/kg (Kow method)
      Log Koc:  2.652       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.098E-001  L/mol-sec
  Kb Half-Life at pH 8:      38.228  days   
  Kb Half-Life at pH 7:       1.047  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.741 (BCF = 55.13 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0949 days (HL = 0.08037 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.436 (BCF = 27.27)
   Log BAF Arnot-Gobas method (upper trophic) = 1.436 (BAF = 27.27)
       log Kow used: 3.14 (estimated)

 Volatilization from Water:
    Henry LC:  2.45E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      346.3  hours   (14.43 days)
    Half-Life from Model Lake :       3899  hours   (162.5 days)

 Removal In Wastewater Treatment:
    Total removal:               7.20  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.93  percent
    Total to Air:                0.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.798           8.5          1000       
   Water     25.9            360          1000       
   Soil      73              720          1000       
   Sediment  0.297           3.24e+003    0          
     Persistence Time: 457 hr