CAS Num: 000119-84-6
SMILES : O=C(Oc(c(ccc1)C2)c1)C2
CHEM   : 2H-1-Benzopyran-2-one, 3,4-dihydro-
MOL FOR: C9 H8 O2 
MOL WT : 148.16
------------------------------ 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) =  0.97

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  288.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  39.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00827  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.1  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  25 deg C
    BP  (exp database):  272 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.154e+004
       log Kow used: 0.97 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3000 mg/L (37 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  814.09 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.15E-005  atm-m3/mole  (3.20E+000 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:  1.397E-007 atm-m3/mole  (1.416E-002 Pa-m3/mole)
      VP:   0.00827 mm Hg (source: MPBPVP)
      WS:   1.15E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.97  (KowWin est)
  Log Kaw used:  -2.890  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.860
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9059
   Biowin2 (Non-Linear Model)     :   0.9962
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9371  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7944  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6120
   Biowin6 (MITI Non-Linear Model):   0.7836
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3844
 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):  1.14 Pa (0.00852 mm Hg)
  Log Koa (Koawin est  ): 3.860
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.64E-006 
       Octanol/air (Koa) model:  1.78E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.54E-005 
       Mackay model           :  0.000211 
       Octanol/air (Koa) model:  1.42E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.0637 E-12 cm3/molecule-sec
      Half-Life =     2.112 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    25.347 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000153 (Junge-Pankow, Mackay avg)
      1.42E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  125.1  L/kg (MCI method)
      Log Koc:  2.097       (MCI method)
      Koc    :  24.89  L/kg (Kow method)
      Log Koc:  1.396       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3072 days (HL = 0.04929 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.185 (BCF = 1.531)
   Log BAF Arnot-Gobas method (upper trophic) = 0.185 (BAF = 1.531)
       log Kow used: 0.97 (estimated)

 Volatilization from Water:
    Henry LC:  3.15E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      23.87  hours
    Half-Life from Model Lake :      362.4  hours   (15.1 days)

 Removal In Wastewater Treatment:
    Total removal:               3.55  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:                1.69  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.62            50.7         1000       
   Water     25.9            360          1000       
   Soil      70.3            720          1000       
   Sediment  0.176           3.24e+003    0          
     Persistence Time: 436 hr