CAS Number: 529-84-0
SMILES : Oc1c(O)cc2C(C)=CC(=O)Oc2c1
CHEM   : 2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-methyl-
MOL FOR: C10 H8 O4 
MOL WT : 192.17
------------------------------ 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) =  1.10
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  378.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  140.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.2E-009  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.27E-007  (Modified Grain method)
    MP  (exp database):  274-276 deg C
    Subcooled liquid VP: 1.77E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000236 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.097e+004
       log Kow used: 1.10 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  100 mg/L ( deg C)
        Exper. Ref:  GREEN,FJ (1990)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  70852 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.18E-013  atm-m3/mole  (1.19E-008 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:  3.859E-014 atm-m3/mole  (3.910E-009 Pa-m3/mole)
      VP:   3.2E-009 mm Hg (source: MPBPVP)
      WS:   2.1E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.10  (KowWin est)
  Log Kaw used:  -11.317  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.417
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0619
   Biowin2 (Non-Linear Model)     :   0.9979
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0275  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8788  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6357
   Biowin6 (MITI Non-Linear Model):   0.6658
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8254
 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):  0.000236 Pa (1.77E-006 mm Hg)
  Log Koa (Koawin est  ): 12.417
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0127 
       Octanol/air (Koa) model:  0.641 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.315 
       Mackay model           :  0.504 
       Octanol/air (Koa) model:  0.981 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  53.0774 E-12 cm3/molecule-sec
      Half-Life =     0.202 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.418 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
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.409 (Junge-Pankow, Mackay avg)
      0.981 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  344.6  L/kg (MCI method)
      Log Koc:  2.537       (MCI method)
      Koc    :  63.33  L/kg (Kow method)
      Log Koc:  1.802       (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 v3.01):
   Log BCF from regression-based method = 0.393 (BCF = 2.469 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.4514 days (HL = 0.003537 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.064 (BCF = 1.159)
   Log BAF Arnot-Gobas method (upper trophic) = 0.064 (BAF = 1.159)
       log Kow used: 1.10 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.18E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.878E+009  hours   (2.866E+008 days)
    Half-Life from Model Lake : 7.503E+010  hours   (3.126E+009 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  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       4.44e-005       1.42         1000       
   Water     17              360          1000       
   Soil      82.7            720          1000       
   Sediment  0.248           3.24e+003    0          
     Persistence Time: 772 hr