CAS Num: 006638-05-7
SMILES : COc1c(O)c(OC)cc(C)c1
CHEM   : 
MOL FOR: C9 H12 O3 
MOL WT : 168.19
------------------------------ 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) =  1.71

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  266.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  62.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.002  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.267  (Modified Grain method)
    Subcooled liquid VP: 0.0045 mm Hg (25 deg C, Mod-Grain method)
                       : 0.6 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2173
       log Kow used: 1.71 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5412.7 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.16E-009  atm-m3/mole  (2.19E-004 Pa-m3/mole)
   Group Method:   4.66E-007  atm-m3/mole  (4.72E-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:  2.037E-007 atm-m3/mole  (2.064E-002 Pa-m3/mole)
      VP:   0.002 mm Hg (source: MPBPVP)
      WS:   2.17E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.71  (KowWin est)
  Log Kaw used:  -7.054  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.764
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1018
   Biowin2 (Non-Linear Model)     :   0.9986
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6928  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7305  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7252
   Biowin6 (MITI Non-Linear Model):   0.8006
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5511
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.6 Pa (0.0045 mm Hg)
  Log Koa (Koawin est  ): 8.764
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5E-006 
       Octanol/air (Koa) model:  0.000143 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000181 
       Mackay model           :  0.0004 
       Octanol/air (Koa) model:  0.0113 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 201.9352 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.636 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00029 (Junge-Pankow, Mackay avg)
      0.0113 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  128.4  L/kg (MCI method)
      Log Koc:  2.109       (MCI method)
      Koc    :  141.1  L/kg (Kow method)
      Log Koc:  2.150       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.795 (BCF = 6.24 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3682 days (HL = 0.04283 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.580 (BCF = 3.806)
   Log BAF Arnot-Gobas method (upper trophic) = 0.580 (BAF = 3.806)
       log Kow used: 1.71 (estimated)

 Volatilization from Water:
    Henry LC:  4.66E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1631  hours   (67.95 days)
    Half-Life from Model Lake :  1.79E+004  hours   (745.8 days)

 Removal In Wastewater Treatment:
    Total removal:               2.08  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.96  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0658          1.27         1000       
   Water     23.4            900          1000       
   Soil      76.4            1.8e+003     1000       
   Sediment  0.19            8.1e+003     0          
     Persistence Time: 932 hr