CAS Num: 067801-43-8
SMILES : O=C(Oc(ccc(c1)C)c1)CC(=O)c(cccc2)c2
CHEM   : Benzenepropanoic acid,  -oxo-, 4-methylphenyl ester
MOL FOR: C16 H14 O3 
MOL WT : 254.29
------------------------------ 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) =  2.98

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  365.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  118.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.59E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000879  (Modified Grain method)
    Subcooled liquid VP: 5.52E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00736 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  64.08
       log Kow used: 2.98 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  53.671 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.53E-009  atm-m3/mole  (9.65E-004 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:  3.441E-008 atm-m3/mole  (3.487E-003 Pa-m3/mole)
      VP:   6.59E-006 mm Hg (source: MPBPVP)
      WS:   64.1 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.98  (KowWin est)
  Log Kaw used:  -6.409  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.389
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9903
   Biowin2 (Non-Linear Model)     :   0.9955
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7021  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6240  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5819
   Biowin6 (MITI Non-Linear Model):   0.5701
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3704
 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):  0.00736 Pa (5.52E-005 mm Hg)
  Log Koa (Koawin est  ): 9.389
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000408 
       Octanol/air (Koa) model:  0.000601 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0145 
       Mackay model           :  0.0316 
       Octanol/air (Koa) model:  0.0459 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.8695 E-12 cm3/molecule-sec
      Half-Life =     1.822 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.868 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.023 (Junge-Pankow, Mackay avg)
      0.0459 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  876.2  L/kg (MCI method)
      Log Koc:  2.943       (MCI method)
      Koc    :  505.2  L/kg (Kow method)
      Log Koc:  2.703       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.891E+000  L/mol-sec
  Kb Half-Life at pH 8:       2.061  days   
  Kb Half-Life at pH 7:      20.615  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.047 (BCF = 11.14 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1606 days (HL = 0.06909 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.344 (BCF = 22.06)
   Log BAF Arnot-Gobas method (upper trophic) = 1.344 (BAF = 22.06)
       log Kow used: 2.98 (estimated)

 Volatilization from Water:
    Henry LC:  9.53E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 9.797E+004  hours   (4082 days)
    Half-Life from Model Lake : 1.069E+006  hours   (4.454E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               5.52  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.40  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       0.0674          43.7         1000       
   Water     12.3            900          1000       
   Soil      87.1            1.8e+003     1000       
   Sediment  0.595           8.1e+003     0          
     Persistence Time: 1.75e+003 hr