CAS Number: 2150-40-5
SMILES : O=C(OC)c1cc(OC)ccc1OC
CHEM   : 
MOL FOR: C10 H12 O4 
MOL WT : 196.20
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  1.99
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  270.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  55.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00481  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.642  (Modified Grain method)
    Subcooled liquid VP: 0.00929 mm Hg (25 deg C, Mod-Grain method)
                       : 1.24 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  913.9
       log Kow used: 1.99 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1114.8 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.21E-007  atm-m3/mole  (1.23E-002 Pa-m3/mole)
   Group Method:   1.20E-005  atm-m3/mole  (1.21E+000 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:  1.359E-006 atm-m3/mole  (1.377E-001 Pa-m3/mole)
      VP:   0.00481 mm Hg (source: MPBPVP)
      WS:   914 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.99  (KowWin est)
  Log Kaw used:  -5.306  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.296
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0921
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7896  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9479  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8885
   Biowin6 (MITI Non-Linear Model):   0.9146
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8390
 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):  1.24 Pa (0.00929 mm Hg)
  Log Koa (Koawin est  ): 7.296
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.42E-006 
       Octanol/air (Koa) model:  4.85E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.75E-005 
       Mackay model           :  0.000194 
       Octanol/air (Koa) model:  0.000388 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.8529 E-12 cm3/molecule-sec
      Half-Life =     1.362 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.344 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000141 (Junge-Pankow, Mackay avg)
      0.000388 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  28.15  L/kg (MCI method)
      Log Koc:  1.449       (MCI method)
      Koc    :  118.1  L/kg (Kow method)
      Log Koc:  2.072       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  7.142E-002  L/mol-sec
  Kb Half-Life at pH 8:     112.327  days   
  Kb Half-Life at pH 7:       3.075  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.980 (BCF = 9.55 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2212 days (HL = 0.06009 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.821 (BCF = 6.628)
   Log BAF Arnot-Gobas method (upper trophic) = 0.821 (BAF = 6.628)
       log Kow used: 1.99 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.2E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      69.77  hours   (2.907 days)
    Half-Life from Model Lake :      878.6  hours   (36.61 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.89  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.13  percent
    Total to Air:                0.66  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.94            32.7         1000       
   Water     33.3            360          1000       
   Soil      63.7            720          1000       
   Sediment  0.1             3.24e+003    0          
     Persistence Time: 400 hr