CAS Number: 138256-93-6
SMILES : C0C(C(Oc2c0c(cc(c2C3C4C(OC(=O)c5cc(c(c(c5c6c(c3c(c(c6O)O)O)C(=O)O4)O)
         O)O)C7C(COC(=O)c8cc(c(c(c8c9c(c(c(cc9C(=O)O7)O)O)O)O)O)O)O)O)O)c1cc(c
         (cc1)O)O)O
CHEM   : 
MOL FOR: C49 H36 O27 
MOL WT : 1056.82
    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) =  1.75
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1717.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0  (Modified Grain method)
    VP (Pa, 25 deg C) :  0  (Modified Grain method)
    Subcooled liquid VP: 0 mm Hg (25 deg C, Mod-Grain method)
                       : 0 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.001277
       log Kow used: 1.75 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0568e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   Incomplete
   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]:
 not available
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   3.3528
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4388  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.0728  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5524
   Biowin6 (MITI Non-Linear Model):   0.0020
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  2.4978
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
    Insufficient Data Available. 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 241.3776 E-12 cm3/molecule-sec
      Half-Life =     0.044 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.532 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1 (Koa method)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1E+010  L/kg (MCI method)
      Log Koc:  11.825      (MCI method)
      Koc    :  4618  L/kg (Kow method)
      Log Koc:  3.664       (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 = 0.818 (BCF = 6.583 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -14.6307 days (HL = 2.34e-015 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.254 (BCF = 1.793)
   Log BAF Arnot-Gobas method (upper trophic) = 0.254 (BAF = 1.793)
       log Kow used: 1.75 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.09E-012 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 1.748E+009  hours   (7.283E+007 days)
    Half-Life from Model Lake : 1.907E+010  hours   (7.945E+008 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.07  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.98  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       0.015           1.06         1000       
   Water     1.76            900          1000       
   Soil      28.3            1.8e+003     1000       
   Sediment  69.9            8.1e+003     0          
     Persistence Time: 3.19e+003 hr