CAS Num: 068917-10-2
SMILES : O=C(OC)c1c(O)cc(O)cc1C
CHEM   : Oils, oakmoss
MOL FOR: C9 H10 O4 
MOL WT : 182.18
------------------------------ 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) =  2.67

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  314.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  108.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.54E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00206  (Modified Grain method)
    Subcooled liquid VP: 0.000101 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0135 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1070
       log Kow used: 2.67 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8772.7 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Salicylates
       Phenols, Poly 

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.22E-010  atm-m3/mole  (5.29E-005 Pa-m3/mole)
   Group Method:   2.94E-013  atm-m3/mole  (2.98E-008 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:  3.450E-009 atm-m3/mole  (3.496E-004 Pa-m3/mole)
      VP:   1.54E-005 mm Hg (source: MPBPVP)
      WS:   1.07E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.67  (KowWin est)
  Log Kaw used:  -7.671  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.341
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1213
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9747  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8247  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7007
   Biowin6 (MITI Non-Linear Model):   0.7784
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5272
 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):  0.0135 Pa (0.000101 mm Hg)
  Log Koa (Koawin est  ): 10.341
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000223 
       Octanol/air (Koa) model:  0.00538 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00798 
       Mackay model           :  0.0175 
       Octanol/air (Koa) model:  0.301 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 200.6336 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.640 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0127 (Junge-Pankow, Mackay avg)
      0.301 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  185.2  L/kg (MCI method)
      Log Koc:  2.268       (MCI method)
      Koc    :  467.8  L/kg (Kow method)
      Log Koc:  2.670       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.365E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.451  years  
  Kb Half-Life at pH 7:      34.506  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.429 (BCF = 26.86 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.4484 days (HL = 0.003561 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.597 (BCF = 3.953)
   Log BAF Arnot-Gobas method (upper trophic) = 0.597 (BAF = 3.953)
       log Kow used: 2.67 (estimated)

 Volatilization from Water:
    Henry LC:  5.22E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.514E+006  hours   (6.308E+004 days)
    Half-Life from Model Lake : 1.652E+007  hours   (6.881E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               3.68  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.58  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       0.00881         1.28         1000       
   Water     18.5            360          1000       
   Soil      81.3            720          1000       
   Sediment  0.167           3.24e+003    0          
     Persistence Time: 728 hr