CAS Number: 156057-52-2
SMILES : O=C(OC6C(O)C(OC(=O)C(C)CC)C(OC6OC3C2OC1OC(C(OC(=O)C(C)CC)C(OC(=O)C(C)
         C)C1O)COC5OC(C(O)C(O)C5OC(=O)CCCCCCCCCC(OC4OC(CO)C(O)C(O)C4OC3OC(CO)C
         2O)CCCCC)CO)C)C(C)CC
CHEM   : 
MOL FOR: C65 H110 O30 
MOL WT : 1371.58
    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) =  3.55
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1513.84  (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):  8.179e-007
       log Kow used: 3.55 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 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)         :  -0.8124
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6805  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.4798  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7928
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2409
 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 = 246.6924 E-12 cm3/molecule-sec
      Half-Life =     0.043 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.520 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.977 (Junge-Pankow, Mackay avg)
      0.706 (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:  12.865      (MCI method)
      Koc    :  19.97  L/kg (Kow method)
      Log Koc:  1.300       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.377E-002  L/mol-sec
  Kb Half-Life at pH 8:     237.526  days   
  Kb Half-Life at pH 7:       6.503  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.012 (BCF = 102.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.6638 days (HL = 0.0002169 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.818 (BCF = 6.575)
   Log BAF Arnot-Gobas method (upper trophic) = 0.818 (BAF = 6.575)
       log Kow used: 3.55 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.21E-009 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 9.827E+005  hours   (4.095E+004 days)
    Half-Life from Model Lake : 1.072E+007  hours   (4.467E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:              14.22  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    14.03  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       0.0148          1.04         1000       
   Water     1.76            900          1000       
   Soil      28.2            1.8e+003     1000       
   Sediment  70              8.1e+003     0          
     Persistence Time: 3.19e+003 hr