CAS Num: 000091-10-1
SMILES : O(c(c(O)c(OC)cc1)c1)C
CHEM   : Phenol, 2,6-dimethoxy-
MOL FOR: C8 H10 O3 
MOL WT : 154.17
------------------------------ 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) =  1.16
    Log Kow (Exper. database match) =  1.15
       Exper. Ref:  SOTOMATSU,T ET AL. (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  249.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  55.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00307  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.41  (Modified Grain method)
    MP  (exp database):  56.5 deg C
    BP  (exp database):  261 deg C
    Subcooled liquid VP: 0.00602 mm Hg (25 deg C, Mod-Grain method)
                       : 0.802 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7578
       log Kow used: 1.15 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.72e+004 mg/L (13 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16632 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.96E-009  atm-m3/mole  (1.99E-004 Pa-m3/mole)
   Group Method:   4.35E-007  atm-m3/mole  (4.41E-002 Pa-m3/mole)
   Exper Database: 2.31E-07  atm-m3/mole  (2.34E-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:  8.218E-008 atm-m3/mole  (8.327E-003 Pa-m3/mole)
      VP:   0.00307 mm Hg (source: MPBPVP)
      WS:   7.58E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.15  (exp database)
  Log Kaw used:  -5.025  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.175
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0538
   Biowin2 (Non-Linear Model)     :   0.9980
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7986  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8192  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7337
   Biowin6 (MITI Non-Linear Model):   0.8332
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8274
 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):  0.803 Pa (0.00602 mm Hg)
  Log Koa (Koawin est  ): 6.175
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.74E-006 
       Octanol/air (Koa) model:  3.67E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000135 
       Mackay model           :  0.000299 
       Octanol/air (Koa) model:  2.94E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 165.0668 E-12 cm3/molecule-sec
      Half-Life =     0.065 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.778 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000217 (Junge-Pankow, Mackay avg)
      2.94E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  80.04  L/kg (MCI method)
      Log Koc:  1.903       (MCI method)
      Koc    :  69.17  L/kg (Kow method)
      Log Koc:  1.840       (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 = 0.426 (BCF = 2.665 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3289 days (HL = 0.0469 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.263 (BCF = 1.833)
   Log BAF Arnot-Gobas method (upper trophic) = 0.263 (BAF = 1.833)
       log Kow used: 1.15 (expkow database)

 Volatilization from Water:
    Henry LC:  2.31E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       3148  hours   (131.2 days)
    Half-Life from Model Lake : 3.445E+004  hours   (1435 days)

 Removal In Wastewater Treatment:
    Total removal:               1.92  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.81  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.165           1.56         1000       
   Water     28.7            360          1000       
   Soil      70.9            720          1000       
   Sediment  0.146           3.24e+003    0          
     Persistence Time: 439 hr