CAS Number: 84930-16-5
SMILES : CCCOC(=O)c1ccc(cc1)O(K)
CHEM   : 
MOL FOR: C10 H11 O3 K1 
MOL WT : 218.30
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  -0.36
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  511.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  218.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.2E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.6E-008  (Modified Grain method)
    Subcooled liquid VP: 1.38E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 1.84E-006 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  7.077e+004
       log Kow used: -0.36 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  465.74 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  4.870E-016 atm-m3/mole  (4.935E-011 Pa-m3/mole)
      VP:   1.2E-010 mm Hg (source: MPBPVP)
      WS:   7.08E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9517
   Biowin2 (Non-Linear Model)     :   0.9957
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9975  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8564  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7161
   Biowin6 (MITI Non-Linear Model):   0.8344
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6793
 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):  1.84E-006 Pa (1.38E-008 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.63 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.983 
       Mackay model           :  0.992 
       Octanol/air (Koa) model:  not available
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.1057 E-12 cm3/molecule-sec
      Half-Life =     1.058 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.701 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.988 (Junge-Pankow, Mackay avg)
      not available (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  286.6  L/kg (MCI method)
      Log Koc:  2.457       (MCI method)
      Koc    :  6.718  L/kg (Kow method)
      Log Koc:  0.827       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.363E-002  L/mol-sec
  Kb Half-Life at pH 8:     238.552  days   
  Kb Half-Life at pH 7:       6.531  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.673 (BCF = 47.08 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9918 days (HL = 0.1019 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.487 (BCF = 30.67)
   Log BAF Arnot-Gobas method (upper trophic) = 1.487 (BAF = 30.67)
       log Kow used: 3.04 (expkow database)
 
 Volatilization from Water:
    Henry LC:  4.87E-016 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 1.776E+012  hours   (7.4E+010 days)
    Half-Life from Model Lake : 1.938E+013  hours   (8.073E+011 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       8.06e-007       25.4         1000       
   Water     17.3            360          1000       
   Soil      82.5            720          1000       
   Sediment  0.217           3.24e+003    0          
     Persistence Time: 769 hr