CAS Number: 173429-82-8
SMILES : CC(C)(C1C(c2c3c(c(cc2O1)O)C(=O)c4c(N3C)c(c(cc4)O)OC)c5c(cc6c(c5O)C(=O
         )c7c(N6C)c(c(cc7)O)OC)OC)O
CHEM   : 
MOL FOR: C36 H34 N2 O11 
MOL WT : 670.68
------------------------------ 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) =  1.89
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  890.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.21E-027  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.23E-024  (Modified Grain method)
    Subcooled liquid VP: 4.72E-023 mm Hg (25 deg C, Mod-Grain method)
                       : 6.29E-021 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.1038
       log Kow used: 1.89 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.7068e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.76E-033  atm-m3/mole  (1.78E-028 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:  7.830E-026 atm-m3/mole  (7.934E-021 Pa-m3/mole)
      VP:   9.21E-027 mm Hg (source: MPBPVP)
      WS:   0.104 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.89  (KowWin est)
  Log Kaw used:  -31.143  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  33.033
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8930
   Biowin2 (Non-Linear Model)     :   0.4049
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.8686  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.5049  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0570
   Biowin6 (MITI Non-Linear Model):   0.0003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.5682
 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):  6.29E-021 Pa (4.72E-023 mm Hg)
  Log Koa (Koawin est  ): 33.033
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.77E+014 
       Octanol/air (Koa) model:  2.65E+020 
   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 = 243.6789 E-12 cm3/molecule-sec
      Half-Life =     0.044 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.527 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  7.708E+005  L/kg (MCI method)
      Log Koc:  5.887       (MCI method)
      Koc    :  439.2  L/kg (Kow method)
      Log Koc:  2.643       (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 = 0.329 (BCF = 2.132 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -6.2039 days (HL = 6.253e-007 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.304 (BCF = 2.014)
   Log BAF Arnot-Gobas method (upper trophic) = 0.304 (BAF = 2.014)
       log Kow used: 1.89 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.76E-033 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.615E+029  hours   (3.59E+028 days)
    Half-Life from Model Lake : 9.398E+030  hours   (3.916E+029 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.16  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.06  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       1.04e-010       1.05         1000       
   Water     0.911           4.32e+003    1000       
   Soil      56.9            8.64e+003    1000       
   Sediment  42.2            3.89e+004    0          
     Persistence Time: 1.39e+004 hr