CAS Num: 000120-51-4
SMILES : O=C(OCc(cccc1)c1)c(cccc2)c2
CHEM   : Benzoic acid, phenylmethyl ester
MOL FOR: C14 H12 O2 
MOL WT : 212.25
------------------------------ 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) =  3.54
    Log Kow (Exper. database match) =  3.97
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  317.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  70.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000555  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0741  (Modified Grain method)
    MP  (exp database):  21 deg C
    BP  (exp database):  323.5 deg C
    VP  (exp database):  2.24E-04 mm Hg (2.99E-002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  15.39
       log Kow used: 3.97 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20.002 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.80E-006  atm-m3/mole  (2.84E-001 Pa-m3/mole)
   Group Method:   2.34E-007  atm-m3/mole  (2.37E-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:  1.007E-005 atm-m3/mole  (1.020E+000 Pa-m3/mole)
      VP:   0.000555 mm Hg (source: MPBPVP)
      WS:   15.4 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.97  (exp database)
  Log Kaw used:  -3.941  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.911
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0769
   Biowin2 (Non-Linear Model)     :   0.9995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9144  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7803  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4509
   Biowin6 (MITI Non-Linear Model):   0.4803
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4827
 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):  0.0299 Pa (0.000224 mm Hg)
  Log Koa (Koawin est  ): 7.911
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0001 
       Octanol/air (Koa) model:  2E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00362 
       Mackay model           :  0.00797 
       Octanol/air (Koa) model:  0.0016 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.9698 E-12 cm3/molecule-sec
      Half-Life =     1.535 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    18.415 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00579 (Junge-Pankow, Mackay avg)
      0.0016 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2514  L/kg (MCI method)
      Log Koc:  3.400       (MCI method)
      Koc    :  1136  L/kg (Kow method)
      Log Koc:  3.055       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.264E-001  L/mol-sec
  Kb Half-Life at pH 8:      63.443  days   
  Kb Half-Life at pH 7:       1.737  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.286 (BCF = 193.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3563 days (HL = 0.04402 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.282 (BCF = 19.15)
   Log BAF Arnot-Gobas method (upper trophic) = 1.282 (BAF = 19.15)
       log Kow used: 3.97 (expkow database)

 Volatilization from Water:
    Henry LC:  2.34E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       3647  hours   (151.9 days)
    Half-Life from Model Lake :  3.99E+004  hours   (1663 days)

 Removal In Wastewater Treatment:
    Total removal:              28.72  percent
    Total biodegradation:        0.31  percent
    Total sludge adsorption:    28.40  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.45            36.8         1000       
   Water     20.8            360          1000       
   Soil      76.1            720          1000       
   Sediment  1.68            3.24e+003    0          
     Persistence Time: 567 hr