CAS Num: 006738-23-4
SMILES : COc1c(C)cc(C)cc1
CHEM   : 
MOL FOR: C9 H12 O1 
MOL WT : 136.20
------------------------------ 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) =  3.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  191.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -5.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.537  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  71.5  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  192 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  170.9
       log Kow used: 3.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  97.743 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.88E-004  atm-m3/mole  (3.93E+001 Pa-m3/mole)
   Group Method:   4.99E-003  atm-m3/mole  (5.06E+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:  5.631E-004 atm-m3/mole  (5.706E+001 Pa-m3/mole)
      VP:   0.537 mm Hg (source: MPBPVP)
      WS:   171 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.17  (KowWin est)
  Log Kaw used:  -1.800  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.970
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9240
   Biowin2 (Non-Linear Model)     :   0.9888
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6904  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5913  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6102
   Biowin6 (MITI Non-Linear Model):   0.7132
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0953
 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):  65.2 Pa (0.489 mm Hg)
  Log Koa (Koawin est  ): 4.970
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.6E-008 
       Octanol/air (Koa) model:  2.29E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.66E-006 
       Mackay model           :  3.68E-006 
       Octanol/air (Koa) model:  1.83E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.4163 E-12 cm3/molecule-sec
      Half-Life =     0.320 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.841 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.67E-006 (Junge-Pankow, Mackay avg)
      1.83E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  245.4  L/kg (MCI method)
      Log Koc:  2.390       (MCI method)
      Koc    :  542.6  L/kg (Kow method)
      Log Koc:  2.734       (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 = 1.758 (BCF = 57.22 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1836 days (HL = 0.6553 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.996 (BCF = 99.09)
   Log BAF Arnot-Gobas method (upper trophic) = 1.996 (BAF = 99.09)
       log Kow used: 3.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.00499 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.328  hours
    Half-Life from Model Lake :      112.3  hours   (4.681 days)

 Removal In Wastewater Treatment:
    Total removal:              67.71  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     4.83  percent
    Total to Air:               62.81  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.54            7.68         1000       
   Water     44.9            900          1000       
   Soil      49.9            1.8e+003     1000       
   Sediment  0.633           8.1e+003     0          
     Persistence Time: 181 hr