CAS Number: 73728-76-4
SMILES : Cc1cc2c3c(coc3c1c4c5c6c(cc4C)C(=C(C(=O)c6co5)O)C(C)C)C(=O)C(=C2C(C)C)
         O
CHEM   : 
MOL FOR: C30 H26 O6 
MOL WT : 482.54
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  7.93
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  713.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  312.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.47E-021  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.63E-019  (Modified Grain method)
    Subcooled liquid VP: 5.87E-018 mm Hg (25 deg C, Mod-Grain method)
                       : 7.82E-016 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.226e-005
       log Kow used: 7.93 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.9178e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.13E-009  atm-m3/mole  (2.16E-004 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:  1.797E-016 atm-m3/mole  (1.821E-011 Pa-m3/mole)
      VP:   3.47E-021 mm Hg (source: MPBPVP)
      WS:   1.23E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.93  (KowWin est)
  Log Kaw used:  -7.060  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.990
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9583
   Biowin2 (Non-Linear Model)     :   0.2043
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2581  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2290  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1496
   Biowin6 (MITI Non-Linear Model):   0.0012
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.4574
 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):  7.83E-016 Pa (5.87E-018 mm Hg)
  Log Koa (Koawin est  ): 14.990
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.83E+009 
       Octanol/air (Koa) model:  240 
   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 = 168.7432 E-12 cm3/molecule-sec
      Half-Life =     0.063 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.761 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    27.299999 E-17 cm3/molecule-sec
      Half-Life =     0.042 Days (at 7E11 mol/cm3)
      Half-Life =      1.007 Hrs
   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    :  3.878E+004  L/kg (MCI method)
      Log Koc:  4.589       (MCI method)
      Koc    :  7.581E+004  L/kg (Kow method)
      Log Koc:  4.880       (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 = 3.085 (BCF = 1217 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4488 days (HL = 2.811 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.798 (BCF = 62.84)
   Log BAF Arnot-Gobas method (upper trophic) = 2.860 (BAF = 724.1)
       log Kow used: 7.93 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.13E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.038E+005  hours   (2.516E+004 days)
    Half-Life from Model Lake : 6.587E+006  hours   (2.745E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.01  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.23  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       0.0245          0.606        1000       
   Water     16              900          1000       
   Soil      77              1.8e+003     1000       
   Sediment  6.96            8.1e+003     0          
     Persistence Time: 1.15e+003 hr