CAS Num: 001131-62-0
SMILES : O=C(c(ccc(OC)c1OC)c1)C
CHEM   : Ethanone, 1-(3,4-dimethoxyphenyl)-
MOL FOR: C10 H12 O3 
MOL WT : 180.21
------------------------------ 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) =  1.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  265.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  58.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00224  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.298  (Modified Grain method)
    MP  (exp database):  51 deg C
    BP  (exp database):  287 deg C
    Subcooled liquid VP: 0.00388 mm Hg (25 deg C, Mod-Grain method)
                       : 0.517 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4110
       log Kow used: 1.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2041.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.43E-008  atm-m3/mole  (3.48E-003 Pa-m3/mole)
   Group Method:   7.22E-006  atm-m3/mole  (7.31E-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:  1.292E-007 atm-m3/mole  (1.309E-002 Pa-m3/mole)
      VP:   0.00224 mm Hg (source: MPBPVP)
      WS:   4.11E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.32  (KowWin est)
  Log Kaw used:  -5.853  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.173
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9324
   Biowin2 (Non-Linear Model)     :   0.9889
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6622  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7198  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7101
   Biowin6 (MITI Non-Linear Model):   0.7722
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2752
 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):  0.517 Pa (0.00388 mm Hg)
  Log Koa (Koawin est  ): 7.173
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.8E-006 
       Octanol/air (Koa) model:  3.66E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000209 
       Mackay model           :  0.000464 
       Octanol/air (Koa) model:  0.000292 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.7178 E-12 cm3/molecule-sec
      Half-Life =     0.571 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.857 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000337 (Junge-Pankow, Mackay avg)
      0.000292 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  21.72  L/kg (MCI method)
      Log Koc:  1.337       (MCI method)
      Koc    :  91.76  L/kg (Kow method)
      Log Koc:  1.963       (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 = -0.048 (BCF = 0.8952 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8060 days (HL = 0.1563 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.441 (BCF = 2.76)
   Log BAF Arnot-Gobas method (upper trophic) = 0.441 (BAF = 2.76)
       log Kow used: 1.32 (estimated)

 Volatilization from Water:
    Henry LC:  7.22E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      110.2  hours   (4.593 days)
    Half-Life from Model Lake :       1315  hours   (54.79 days)

 Removal In Wastewater Treatment:
    Total removal:               2.33  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.83  percent
    Total to Air:                0.40  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.929           13.7         1000       
   Water     36.8            900          1000       
   Soil      62.1            1.8e+003     1000       
   Sediment  0.108           8.1e+003     0          
     Persistence Time: 688 hr