CAS Num: 000087-05-8
SMILES : CCOc1ccc2C(C)=CC(=O)Oc2c1
CHEM   : 2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl-
MOL FOR: C12 H12 O3 
MOL WT : 204.23
------------------------------ 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) =  2.63

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  343.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  97.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.68E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0049  (Modified Grain method)
    Subcooled liquid VP: 0.000184 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0245 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  235.2
       log Kow used: 2.63 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  62.637 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.55E-007  atm-m3/mole  (8.67E-002 Pa-m3/mole)
   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:  4.205E-008 atm-m3/mole  (4.260E-003 Pa-m3/mole)
      VP:   3.68E-005 mm Hg (source: MPBPVP)
      WS:   235 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.63  (KowWin est)
  Log Kaw used:  -4.456  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.086
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9564
   Biowin2 (Non-Linear Model)     :   0.9984
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8299  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8592  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7246
   Biowin6 (MITI Non-Linear Model):   0.7783
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6930
 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):  0.0245 Pa (0.000184 mm Hg)
  Log Koa (Koawin est  ): 7.086
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000122 
       Octanol/air (Koa) model:  2.99E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0044 
       Mackay model           :  0.00969 
       Octanol/air (Koa) model:  0.000239 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  57.5751 E-12 cm3/molecule-sec
      Half-Life =     0.186 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.229 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec
      Half-Life =     0.084 Days (at 7E11 mol/cm3)
      Half-Life =      2.015 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00704 (Junge-Pankow, Mackay avg)
      0.000239 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  239.1  L/kg (MCI method)
      Log Koc:  2.379       (MCI method)
      Koc    :  234.5  L/kg (Kow method)
      Log Koc:  2.370       (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 = 1.404 (BCF = 25.33 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5996 days (HL = 0.2514 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.490 (BCF = 30.92)
   Log BAF Arnot-Gobas method (upper trophic) = 1.490 (BAF = 30.92)
       log Kow used: 2.63 (estimated)

 Volatilization from Water:
    Henry LC:  8.55E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      980.1  hours   (40.84 days)
    Half-Life from Model Lake : 1.081E+004  hours   (450.5 days)

 Removal In Wastewater Treatment:
    Total removal:               3.57  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.42  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.146           1.39         1000       
   Water     26.2            360          1000       
   Soil      73.3            720          1000       
   Sediment  0.286           3.24e+003    0          
     Persistence Time: 452 hr