CAS Number: 124693-70-5
SMILES : CC(=CCc1c2c(c(c3c1OC4=C(C3(=O))CC(c5c4c(cc(c5O)O)O)C(=C)C)O)C=CC(O2)(
         C)C)C
CHEM   : 
MOL FOR: C30 H30 O7 
MOL WT : 502.57
------------------------------ EPI SUMMARY (v4.11) --------------------------
    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) =  8.68
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  682.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  297.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.6E-018  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.14E-016  (Modified Grain method)
    Subcooled liquid VP: 1.77E-015 mm Hg (25 deg C, Mod-Grain method)
                       : 2.36E-013 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0001009
       log Kow used: 8.68 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00015132 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Ethers
       Phenols, Poly 
       Hydroquinones 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.28E-022  atm-m3/mole  (8.39E-017 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:  1.049E-014 atm-m3/mole  (1.062E-009 Pa-m3/mole)
      VP:   1.6E-018 mm Hg (source: MPBPVP)
      WS:   0.000101 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.68  (KowWin est)
  Log Kaw used:  -19.470  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  28.150
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1676
   Biowin2 (Non-Linear Model)     :   0.9517
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8135  (months      )
   Biowin4 (Primary Survey Model) :   3.1229  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0452
   Biowin6 (MITI Non-Linear Model):   0.0044
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3952
 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):  2.36E-013 Pa (1.77E-015 mm Hg)
  Log Koa (Koawin est  ): 28.150
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.27E+007 
       Octanol/air (Koa) model:  3.47E+015 
   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 = 439.5890 E-12 cm3/molecule-sec
      Half-Life =     0.024 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.519 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   114.549995 E-17 cm3/molecule-sec
      Half-Life =     0.010 Days (at 7E11 mol/cm3)
      Half-Life =     14.406 Min
   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    :  5.683E+006  L/kg (MCI method)
      Log Koc:  6.755       (MCI method)
      Koc    :  5.024E+006  L/kg (Kow method)
      Log Koc:  6.701       (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 = 2.715 (BCF = 518.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.9672 days (HL = 0.01078 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.003 (BCF = 1.007)
   Log BAF Arnot-Gobas method (upper trophic) = 0.003 (BAF = 1.007)
       log Kow used: 8.68 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.28E-022 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.585E+018  hours   (6.605E+016 days)
    Half-Life from Model Lake : 1.729E+019  hours   (7.205E+017 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  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       2.65e-006       0.17         1000       
   Water     3.08            1.44e+003    1000       
   Soil      54.9            2.88e+003    1000       
   Sediment  42              1.3e+004     0          
     Persistence Time: 4.79e+003 hr