CAS Num: 000498-02-2
SMILES : O=C(c(ccc(O)c1OC)c1)C
CHEM   : Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-
MOL FOR: C9 H10 O3 
MOL WT : 166.18
------------------------------ 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) =  1.02

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  281.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  73.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0001  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0134  (Modified Grain method)
    MP  (exp database):  115 deg C
    BP  (exp database):  297 deg C
    Subcooled liquid VP: 0.000777 mm Hg (25 deg C, Mod-Grain method)
                       : 0.104 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8653
       log Kow used: 1.02 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5000 mg/L (20 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1375e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.04E-011  atm-m3/mole  (6.12E-006 Pa-m3/mole)
   Group Method:   1.09E-009  atm-m3/mole  (1.11E-004 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:  2.527E-009 atm-m3/mole  (2.560E-004 Pa-m3/mole)
      VP:   0.0001 mm Hg (source: MPBPVP)
      WS:   8.65E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.02  (KowWin est)
  Log Kaw used:  -8.607  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.627
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9230
   Biowin2 (Non-Linear Model)     :   0.9662
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8077  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7026  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6204
   Biowin6 (MITI Non-Linear Model):   0.6840
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2575
 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):  0.104 Pa (0.000777 mm Hg)
  Log Koa (Koawin est  ): 9.627
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.9E-005 
       Octanol/air (Koa) model:  0.00104 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00104 
       Mackay model           :  0.00231 
       Octanol/air (Koa) model:  0.0768 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.3513 E-12 cm3/molecule-sec
      Half-Life =     0.391 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.693 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00168 (Junge-Pankow, Mackay avg)
      0.0768 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  43.54  L/kg (MCI method)
      Log Koc:  1.639       (MCI method)
      Koc    :  80.85  L/kg (Kow method)
      Log Koc:  1.908       (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 = -0.246 (BCF = 0.5672 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5108 days (HL = 0.03085 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.171 (BCF = 1.482)
   Log BAF Arnot-Gobas method (upper trophic) = 0.171 (BAF = 1.482)
       log Kow used: 1.02 (estimated)

 Volatilization from Water:
    Henry LC:  1.09E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 6.924E+005  hours   (2.885E+004 days)
    Half-Life from Model Lake : 7.554E+006  hours   (3.147E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0205          9.39         1000       
   Water     22.7            360          1000       
   Soil      77.2            720          1000       
   Sediment  0.0824          3.24e+003    0          
     Persistence Time: 702 hr