CAS Number: 15399-05-0
SMILES : CCOC(=O)C(Cc1ccccc1)O
CHEM   : ethyl 2-hydroxy-3-phenylpropanoate
MOL FOR: C11 H14 O3 
MOL WT : 194.23
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.52
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  297.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  57.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.87E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0105  (Modified Grain method)
    Subcooled liquid VP: 0.000158 mm Hg (25 deg C, Mod-Grain method)
                       : 0.021 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7553
       log Kow used: 1.52 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8969.5 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.89E-006  atm-m3/mole  (3.94E-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:  2.663E-009 atm-m3/mole  (2.698E-004 Pa-m3/mole)
      VP:   7.87E-005 mm Hg (source: MPBPVP)
      WS:   7.55E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.52  (KowWin est)
  Log Kaw used:  -3.799  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.319
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1707
   Biowin2 (Non-Linear Model)     :   0.9996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0173  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8623  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6237
   Biowin6 (MITI Non-Linear Model):   0.7675
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5405
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0211 Pa (0.000158 mm Hg)
  Log Koa (Koawin est  ): 5.319
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000142 
       Octanol/air (Koa) model:  5.12E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00512 
       Mackay model           :  0.0113 
       Octanol/air (Koa) model:  4.09E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.3846 E-12 cm3/molecule-sec
      Half-Life =     1.030 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.360 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00819 (Junge-Pankow, Mackay avg)
      4.09E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  31.38  L/kg (MCI method)
      Log Koc:  1.497       (MCI method)
      Koc    :  19.45  L/kg (Kow method)
      Log Koc:  1.289       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.398E-001  L/mol-sec
  Kb Half-Life at pH 8:      14.862  days   
  Kb Half-Life at pH 7:     148.622  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.417 (BCF = 2.615 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.1680 days (HL = 0.006792 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.179 (BCF = 1.509)
   Log BAF Arnot-Gobas method (upper trophic) = 0.179 (BAF = 1.509)
       log Kow used: 1.52 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.89E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      211.2  hours   (8.799 days)
    Half-Life from Model Lake :       2421  hours   (100.9 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.19  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.88  percent
    Total to Air:                0.22  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.17            24.7         1000       
   Water     32.7            360          1000       
   Soil      65              720          1000       
   Sediment  0.103           3.24e+003    0          
     Persistence Time: 415 hr