CAS Num: 000102-20-5
SMILES : O=C(OCCc(cccc1)c1)Cc(cccc2)c2
CHEM   : Benzeneacetic acid, 2-phenylethyl ester
MOL FOR: C16 H16 O2 
MOL WT : 240.30
------------------------------ 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) =  4.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  343.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  89.40  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000186  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0248  (Modified Grain method)
    MP  (exp database):  26.5 deg C
    Subcooled liquid VP: 0.000192 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0255 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.921
       log Kow used: 4.28 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.4326 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.52E-006  atm-m3/mole  (1.54E-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:  9.932E-006 atm-m3/mole  (1.006E+000 Pa-m3/mole)
      VP:   0.000186 mm Hg (source: MPBPVP)
      WS:   5.92 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.28  (KowWin est)
  Log Kaw used:  -4.207  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.487
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1728
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7027  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6027  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3612
   Biowin6 (MITI Non-Linear Model):   0.3581
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2724
 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):  0.0256 Pa (0.000192 mm Hg)
  Log Koa (Koawin est  ): 8.487
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000117 
       Octanol/air (Koa) model:  7.53E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00421 
       Mackay model           :  0.00929 
       Octanol/air (Koa) model:  0.00599 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.3557 E-12 cm3/molecule-sec
      Half-Life =     0.942 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.303 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00675 (Junge-Pankow, Mackay avg)
      0.00599 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8182  L/kg (MCI method)
      Log Koc:  3.913       (MCI method)
      Koc    :  1686  L/kg (Kow method)
      Log Koc:  3.227       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.498E-001  L/mol-sec
  Kb Half-Life at pH 8:      32.113  days   
  Kb Half-Life at pH 7:     321.131  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.491 (BCF = 309.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2892 days (HL = 0.05138 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.351 (BCF = 22.43)
   Log BAF Arnot-Gobas method (upper trophic) = 1.351 (BAF = 22.43)
       log Kow used: 4.28 (estimated)

 Volatilization from Water:
    Henry LC:  1.52E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      598.7  hours   (24.95 days)
    Half-Life from Model Lake :       6661  hours   (277.5 days)

 Removal In Wastewater Treatment:
    Total removal:              44.22  percent
    Total biodegradation:        0.43  percent
    Total sludge adsorption:    43.75  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.666           22.6         1000       
   Water     15.7            900          1000       
   Soil      76.1            1.8e+003     1000       
   Sediment  7.47            8.1e+003     0          
     Persistence Time: 1.18e+003 hr