CAS Num: 007775-39-5
SMILES : O=C(OC(c(cccc1)c1)C)C(C)C
CHEM   : Propanoic acid, 2-methyl-, 1-phenylethyl ester
MOL FOR: C12 H16 O2 
MOL WT : 192.26
------------------------------ 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) =  3.41

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  248.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  11.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0294  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.92  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  58.95
       log Kow used: 3.41 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  73.914 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.31E-005  atm-m3/mole  (3.36E+000 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:  1.262E-004 atm-m3/mole  (1.278E+001 Pa-m3/mole)
      VP:   0.0294 mm Hg (source: MPBPVP)
      WS:   59 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.41  (KowWin est)
  Log Kaw used:  -2.869  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.279
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9583
   Biowin2 (Non-Linear Model)     :   0.9979
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9365  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8042  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4658
   Biowin6 (MITI Non-Linear Model):   0.5605
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3775
 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):  3.83 Pa (0.0287 mm Hg)
  Log Koa (Koawin est  ): 6.279
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.84E-007 
       Octanol/air (Koa) model:  4.67E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.83E-005 
       Mackay model           :  6.27E-005 
       Octanol/air (Koa) model:  3.73E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.8332 E-12 cm3/molecule-sec
      Half-Life =     1.211 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.531 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.55E-005 (Junge-Pankow, Mackay avg)
      3.73E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  559.9  L/kg (MCI method)
      Log Koc:  2.748       (MCI method)
      Koc    :  556.8  L/kg (Kow method)
      Log Koc:  2.746       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.359E-002  L/mol-sec
  Kb Half-Life at pH 8:     184.027  days   
  Kb Half-Life at pH 7:       5.038  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.915 (BCF = 82.24 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3613 days (HL = 0.04352 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.248 (BCF = 17.7)
   Log BAF Arnot-Gobas method (upper trophic) = 1.248 (BAF = 17.7)
       log Kow used: 3.41 (estimated)

 Volatilization from Water:
    Henry LC:  3.31E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      25.94  hours   (1.081 days)
    Half-Life from Model Lake :      399.3  hours   (16.64 days)

 Removal In Wastewater Treatment:
    Total removal:              12.64  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    10.88  percent
    Total to Air:                1.60  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.36            29.1         1000       
   Water     23.4            360          1000       
   Soil      73.7            720          1000       
   Sediment  0.505           3.24e+003    0          
     Persistence Time: 456 hr