CAS Number: 6192-44-5
SMILES : O=C(OCCOc1ccccc1)C
CHEM   : Ethanol, 2-phenoxy-, acetate
MOL FOR: C10 H12 O3 
MOL WT : 180.21
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  2.11
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  252.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  27.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.022  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.94  (Modified Grain method)
    Subcooled liquid VP: 0.023 mm Hg (25 deg C, Mod-Grain method)
                       : 3.07 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  874.4
       log Kow used: 2.11 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1900 mg/L (35 deg C)
        Exper. Ref:  BEILSTEIN
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  461.45 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.01E-006  atm-m3/mole  (1.02E-001 Pa-m3/mole)
   Group Method:   2.18E-006  atm-m3/mole  (2.21E-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:  5.966E-006 atm-m3/mole  (6.045E-001 Pa-m3/mole)
      VP:   0.022 mm Hg (source: MPBPVP)
      WS:   874 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.11  (KowWin est)
  Log Kaw used:  -4.384  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.494
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0959
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9050  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8987  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8553
   Biowin6 (MITI Non-Linear Model):   0.9290
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8994
 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):  3.07 Pa (0.023 mm Hg)
  Log Koa (Koawin est  ): 6.494
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.78E-007 
       Octanol/air (Koa) model:  7.66E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.53E-005 
       Mackay model           :  7.83E-005 
       Octanol/air (Koa) model:  6.12E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.3921 E-12 cm3/molecule-sec
      Half-Life =     0.352 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.223 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.68E-005 (Junge-Pankow, Mackay avg)
      6.12E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  79.71  L/kg (MCI method)
      Log Koc:  1.902       (MCI method)
      Koc    :  120.9  L/kg (Kow method)
      Log Koc:  2.083       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.632E-001  L/mol-sec
  Kb Half-Life at pH 8:      30.478  days   
  Kb Half-Life at pH 7:     304.777  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.056 (BCF = 11.38 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5875 days (HL = 0.02585 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.712 (BCF = 5.156)
   Log BAF Arnot-Gobas method (upper trophic) = 0.712 (BAF = 5.156)
       log Kow used: 2.11 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.18E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      361.9  hours   (15.08 days)
    Half-Life from Model Lake :       4061  hours   (169.2 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.48  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.26  percent
    Total to Air:                0.12  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.841           8.45         1000       
   Water     28.8            360          1000       
   Soil      70.2            720          1000       
   Sediment  0.146           3.24e+003    0          
     Persistence Time: 436 hr