CAS Num: 000104-62-1
SMILES : O=COCCc(cccc1)c1
CHEM   : Formic acid, 2-phenylethyl ester
MOL FOR: C9 H10 O2 
MOL WT : 150.18
------------------------------ 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) =  2.02

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  217.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  8.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.15  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  20  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  94 @ 9 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1413
       log Kow used: 2.02 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  510.82 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.57E-005  atm-m3/mole  (2.61E+000 Pa-m3/mole)
   Group Method:   5.73E-006  atm-m3/mole  (5.81E-001 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:  2.098E-005 atm-m3/mole  (2.126E+000 Pa-m3/mole)
      VP:   0.15 mm Hg (source: MPBPVP)
      WS:   1.41E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.02  (KowWin est)
  Log Kaw used:  -2.979  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.999
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0330
   Biowin2 (Non-Linear Model)     :   0.9993
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9547  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7964  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6439
   Biowin6 (MITI Non-Linear Model):   0.8237
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6532
 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):  18.5 Pa (0.139 mm Hg)
  Log Koa (Koawin est  ): 4.999
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.62E-007 
       Octanol/air (Koa) model:  2.45E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.85E-006 
       Mackay model           :  1.29E-005 
       Octanol/air (Koa) model:  1.96E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.8320 E-12 cm3/molecule-sec
      Half-Life =     1.366 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.388 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.4E-006 (Junge-Pankow, Mackay avg)
      1.96E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  136.3  L/kg (MCI method)
      Log Koc:  2.134       (MCI method)
      Koc    :  94.8  L/kg (Kow method)
      Log Koc:  1.977       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.828E+001  L/mol-sec
  Kb Half-Life at pH 8:      10.532  hours  
  Kb Half-Life at pH 7:       4.388  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.003 (BCF = 10.07 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8937 days (HL = 0.01277 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.498 (BCF = 3.145)
   Log BAF Arnot-Gobas method (upper trophic) = 0.498 (BAF = 3.145)
       log Kow used: 2.02 (estimated)

 Volatilization from Water:
    Henry LC:  5.73E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      126.5  hours   (5.27 days)
    Half-Life from Model Lake :       1482  hours   (61.77 days)

 Removal In Wastewater Treatment:
    Total removal:               2.58  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.16  percent
    Total to Air:                0.32  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.38            32.8         1000       
   Water     26.7            360          1000       
   Soil      70.7            720          1000       
   Sediment  0.193           3.24e+003    0          
     Persistence Time: 454 hr