CAS Number: 481-46-9
SMILES : Oc(ccc1C(Oc(c2c(O)c3)c(c3O)c(c(OC)cc4)cc4C(Oc(cc(OC)c5)c6c5O)=CC6(=O)
         )=CC2(=O))cc1
CHEM   : 4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-8-[5-(5-HYDROXY-7-METHOXY-4-OXO-
         4
MOL FOR: C32 H22 O10 
MOL WT : 566.53
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
 Physical Property Inputs:
------------------------------ EPI SUMMARY (v3.20) --------------------------
    Water Solubility (mg/L):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  6.58
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  818.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.92E-023  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.56E-021  (Modified Grain method)
    Subcooled liquid VP: 9.84E-020 mm Hg (25 deg C, Mod-Grain method)
                       : 1.31E-017 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.002419
       log Kow used: 6.58 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00039068 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Ethers
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.21E-026  atm-m3/mole  (1.22E-021 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:  5.917E-021 atm-m3/mole  (5.995E-016 Pa-m3/mole)
      VP:   1.92E-023 mm Hg (source: MPBPVP)
      WS:   0.00242 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.58  (KowWin est)
  Log Kaw used:  -24.306  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  30.886
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.4824
   Biowin2 (Non-Linear Model)     :   0.9988
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8953  (months      )
   Biowin4 (Primary Survey Model) :   3.4532  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3954
   Biowin6 (MITI Non-Linear Model):   0.0261
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1732
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.31E-017 Pa (9.84E-020 mm Hg)
  Log Koa (Koawin est  ): 30.886
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.29E+011 
       Octanol/air (Koa) model:  1.89E+018 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 263.0492 E-12 cm3/molecule-sec
      Half-Life =     0.041 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    29.276 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    21.000000 E-17 cm3/molecule-sec
      Half-Life =     0.055 Days (at 7E11 mol/cm3)
      Half-Life =      1.310 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.303E+007  L/kg (MCI method)
      Log Koc:  7.115       (MCI method)
      Koc    :  5.434E+005  L/kg (Kow method)
      Log Koc:  5.735       (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 = 3.425 (BCF = 2660 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8596 days (HL = 0.1382 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.522 (BCF = 33.3)
   Log BAF Arnot-Gobas method (upper trophic) = 1.524 (BAF = 33.42)
       log Kow used: 6.58 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.21E-026 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.152E+023  hours   (4.799E+021 days)
    Half-Life from Model Lake : 1.256E+024  hours   (5.235E+022 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.54  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.76  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       7.56e-007       0.559        1000       
   Water     1.13            1.44e+003    1000       
   Soil      42              2.88e+003    1000       
   Sediment  56.9            1.3e+004     0          
     Persistence Time: 6.27e+003 hr