CAS Num: 000094-47-3
SMILES : O=C(OCCc(cccc1)c1)c(cccc2)c2
CHEM   : Benzoic acid, 2-phenylethyl ester
MOL FOR: C15 H14 O2 
MOL WT : 226.28
------------------------------ 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) =  4.03
    Log Kow (Exper. database match) =  4.01
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  330.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  80.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00011  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0147  (Modified Grain method)
    Subcooled liquid VP: 0.000371 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0495 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  11.99
       log Kow used: 4.01 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.1923 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.72E-006  atm-m3/mole  (3.77E-001 Pa-m3/mole)
   Group Method:   5.11E-007  atm-m3/mole  (5.18E-002 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:  2.732E-006 atm-m3/mole  (2.768E-001 Pa-m3/mole)
      VP:   0.00011 mm Hg (source: MPBPVP)
      WS:   12 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.01  (exp database)
  Log Kaw used:  -3.818  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.828
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1249
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8085  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6915  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4586
   Biowin6 (MITI Non-Linear Model):   0.4865
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3942
 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):  0.0495 Pa (0.000371 mm Hg)
  Log Koa (Koawin est  ): 7.828
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.06E-005 
       Octanol/air (Koa) model:  1.65E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00219 
       Mackay model           :  0.00483 
       Octanol/air (Koa) model:  0.00132 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.4623 E-12 cm3/molecule-sec
      Half-Life =     1.264 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.167 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00351 (Junge-Pankow, Mackay avg)
      0.00132 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4581  L/kg (MCI method)
      Log Koc:  3.661       (MCI method)
      Koc    :  1196  L/kg (Kow method)
      Log Koc:  3.078       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.656E-002  L/mol-sec
  Kb Half-Life at pH 8:     172.299  days   
  Kb Half-Life at pH 7:       4.717  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.313 (BCF = 205.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1777 days (HL = 0.06641 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.451 (BCF = 28.26)
   Log BAF Arnot-Gobas method (upper trophic) = 1.451 (BAF = 28.26)
       log Kow used: 4.01 (expkow database)

 Volatilization from Water:
    Henry LC:  5.11E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1725  hours   (71.88 days)
    Half-Life from Model Lake : 1.894E+004  hours   (789.4 days)

 Removal In Wastewater Treatment:
    Total removal:              30.54  percent
    Total biodegradation:        0.32  percent
    Total sludge adsorption:    30.19  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.64            30.3         1000       
   Water     21.9            360          1000       
   Soil      73.4            720          1000       
   Sediment  3.09            3.24e+003    0          
     Persistence Time: 529 hr