CAS Num: 000093-51-6
SMILES : O(c(c(O)ccc1C)c1)C
CHEM   : Phenol, 2-methoxy-4-methyl-
MOL FOR: C8 H10 O2 
MOL WT : 138.17
------------------------------ 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) =  1.88

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  230.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  40.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0594  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  7.92  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  5.5 deg C
    BP  (exp database):  221 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2093
       log Kow used: 1.88 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9449.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.66E-008  atm-m3/mole  (3.71E-003 Pa-m3/mole)
   Group Method:   5.73E-007  atm-m3/mole  (5.81E-002 Pa-m3/mole)
   Exper Database: 1.33E-06  atm-m3/mole  (1.35E-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:  5.160E-006 atm-m3/mole  (5.228E-001 Pa-m3/mole)
      VP:   0.0594 mm Hg (source: MPBPVP)
      WS:   2.09E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.88  (KowWin est)
  Log Kaw used:  -4.265  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.145
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9842
   Biowin2 (Non-Linear Model)     :   0.9917
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8172  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6967  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6271
   Biowin6 (MITI Non-Linear Model):   0.7379
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3572
 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):  7.33 Pa (0.055 mm Hg)
  Log Koa (Koawin est  ): 6.145
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.09E-007 
       Octanol/air (Koa) model:  3.43E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.48E-005 
       Mackay model           :  3.27E-005 
       Octanol/air (Koa) model:  2.74E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  39.7530 E-12 cm3/molecule-sec
      Half-Life =     0.269 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.229 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.38E-005 (Junge-Pankow, Mackay avg)
      2.74E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  196.4  L/kg (MCI method)
      Log Koc:  2.293       (MCI method)
      Koc    :  154.1  L/kg (Kow method)
      Log Koc:  2.188       (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 = 0.911 (BCF = 8.142 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1468 days (HL = 0.07133 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.775 (BCF = 5.961)
   Log BAF Arnot-Gobas method (upper trophic) = 0.775 (BAF = 5.961)
       log Kow used: 1.88 (estimated)

 Volatilization from Water:
    Henry LC:  1.33E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      518.7  hours   (21.61 days)
    Half-Life from Model Lake :       5757  hours   (239.9 days)

 Removal In Wastewater Treatment:
    Total removal:               2.22  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.05  percent
    Total to Air:                0.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.622           6.46         1000       
   Water     26.3            360          1000       
   Soil      72.8            720          1000       
   Sediment  0.248           3.24e+003    0          
     Persistence Time: 454 hr