CAS Num: 000578-58-5
SMILES : O(c(c(ccc1)C)c1)C
CHEM   : Benzene, 1-methoxy-2-methyl-
MOL FOR: C8 H10 O1 
MOL WT : 122.17
------------------------------ 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) =  2.62
    Log Kow (Exper. database match) =  2.74
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  170.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -23.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.49  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  199  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -34.1 deg C
    BP  (exp database):  171 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  450.4
       log Kow used: 2.74 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  293.93 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.52E-004  atm-m3/mole  (3.56E+001 Pa-m3/mole)
   Group Method:   4.66E-003  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:  5.318E-004 atm-m3/mole  (5.388E+001 Pa-m3/mole)
      VP:   1.49 mm Hg (source: MPBPVP)
      WS:   450 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.74  (exp database)
  Log Kaw used:  -1.842  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.582
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8760
   Biowin2 (Non-Linear Model)     :   0.9837
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7962  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6801  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6187
   Biowin6 (MITI Non-Linear Model):   0.7556
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1810
 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):  180 Pa (1.35 mm Hg)
  Log Koa (Koawin est  ): 4.582
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.67E-008 
       Octanol/air (Koa) model:  9.38E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.02E-007 
       Mackay model           :  1.33E-006 
       Octanol/air (Koa) model:  7.5E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.3265 E-12 cm3/molecule-sec
      Half-Life =     0.391 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.697 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.68E-007 (Junge-Pankow, Mackay avg)
      7.5E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  152.9  L/kg (MCI method)
      Log Koc:  2.184       (MCI method)
      Koc    :  313.8  L/kg (Kow method)
      Log Koc:  2.497       (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 = 1.475 (BCF = 29.84 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1038 days (HL = 0.7873 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.695 (BCF = 49.55)
   Log BAF Arnot-Gobas method (upper trophic) = 1.695 (BAF = 49.55)
       log Kow used: 2.74 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00466 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.267  hours
    Half-Life from Model Lake :      106.5  hours   (4.437 days)

 Removal In Wastewater Treatment:
    Total removal:              65.54  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     2.36  percent
    Total to Air:               63.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.92            9.39         1000       
   Water     48.6            360          1000       
   Soil      44.1            720          1000       
   Sediment  0.38            3.24e+003    0          
     Persistence Time: 131 hr