CAS Number: 29759-11-3
SMILES : CC(c1ccccc1)OC(=O)C
CHEM   : 1-phenylethyl acetate
MOL FOR: C10 H12 O2 
MOL WT : 164.21
------------------------------ 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) =  2.50
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  223.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -0.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.112  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  14.9  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  94-95 @ 12 mm Hg deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  481.1
       log Kow used: 2.50 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  446.7 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.88E-005  atm-m3/mole  (1.90E+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:  5.030E-005 atm-m3/mole  (5.097E+000 Pa-m3/mole)
      VP:   0.112 mm Hg (source: MPBPVP)
      WS:   481 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.50  (KowWin est)
  Log Kaw used:  -3.114  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.614
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9716
   Biowin2 (Non-Linear Model)     :   0.9986
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9985  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8447  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5995
   Biowin6 (MITI Non-Linear Model):   0.7565
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6229
 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):  13.9 Pa (0.104 mm Hg)
  Log Koa (Koawin est  ): 5.614
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.16E-007 
       Octanol/air (Koa) model:  1.01E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.81E-006 
       Mackay model           :  1.73E-005 
       Octanol/air (Koa) model:  8.07E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.9394 E-12 cm3/molecule-sec
      Half-Life =     1.347 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.166 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.26E-005 (Junge-Pankow, Mackay avg)
      8.07E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  187.7  L/kg (MCI method)
      Log Koc:  2.273       (MCI method)
      Koc    :  174.7  L/kg (Kow method)
      Log Koc:  2.242       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.205E-001  L/mol-sec
  Kb Half-Life at pH 8:      66.571  days   
  Kb Half-Life at pH 7:       1.823  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.316 (BCF = 20.68 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6225 days (HL = 0.02385 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.857 (BCF = 7.192)
   Log BAF Arnot-Gobas method (upper trophic) = 0.857 (BAF = 7.192)
       log Kow used: 2.50 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.88E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      41.22  hours   (1.717 days)
    Half-Life from Model Lake :      557.1  hours   (23.21 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.09  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.97  percent
    Total to Air:                1.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.52            32.3         1000       
   Water     25.5            360          1000       
   Soil      71.7            720          1000       
   Sediment  0.232           3.24e+003    0          
     Persistence Time: 449 hr