CAS Number: 122-60-1
SMILES : O(C1COc(cccc2)c2)C1
CHEM   : Oxirane, (phenoxymethyl)-
MOL FOR: C9 H10 O2 
MOL WT : 150.18
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  1.61
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  219.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0355  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.74  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  3.5 deg C
    BP  (exp database):  245 deg C
    VP  (exp database):  1.00E-02 mm Hg (1.33E+000 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3172
       log Kow used: 1.61 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2400 mg/L (25 deg C)
        Exper. Ref:  CLAYTON,GD & CLAYTON,FE (1981)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1917.5 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Epoxides, mono
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.91E-007  atm-m3/mole  (7.00E-002 Pa-m3/mole)
   Group Method:   1.69E-006  atm-m3/mole  (1.71E-001 Pa-m3/mole)
   Exper Database: 8.23E-07  atm-m3/mole  (8.34E-002 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:  2.212E-006 atm-m3/mole  (2.241E-001 Pa-m3/mole)
      VP:   0.0355 mm Hg (source: MPBPVP)
      WS:   3.17E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.61  (KowWin est)
  Log Kaw used:  -4.473  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.083
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5887
   Biowin2 (Non-Linear Model)     :   0.8167
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8225  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7033  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5847
   Biowin6 (MITI Non-Linear Model):   0.6325
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4433
 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):  1.33 Pa (0.01 mm Hg)
  Log Koa (Koawin est  ): 6.083
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.25E-006 
       Octanol/air (Koa) model:  2.97E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.13E-005 
       Mackay model           :  0.00018 
       Octanol/air (Koa) model:  2.38E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.0101 E-12 cm3/molecule-sec
      Half-Life =     0.369 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.424 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000131 (Junge-Pankow, Mackay avg)
      2.38E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  77.61  L/kg (MCI method)
      Log Koc:  1.890       (MCI method)
      Koc    :  60.39  L/kg (Kow method)
      Log Koc:  1.781       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  8.791E-004  L/mol-sec
  Ka Half-Life at pH 7:     249.834  years  
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.732 (BCF = 5.391 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0849 days (HL = 0.08225 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.599 (BCF = 3.968)
   Log BAF Arnot-Gobas method (upper trophic) = 0.599 (BAF = 3.968)
       log Kow used: 1.61 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.23E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      873.1  hours   (36.38 days)
    Half-Life from Model Lake :       9627  hours   (401.1 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.06  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.92  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.836           8.85         1000       
   Water     28.6            360          1000       
   Soil      70.4            720          1000       
   Sediment  0.142           3.24e+003    0          
     Persistence Time: 444 hr