CAS Number: 34540-22-2
SMILES : O=C(OC3OC(COC2OC(C(OC1OC(C)C(O)C(O)C1O)C(O)C2O)CO)C(O)C(O)C3O)C86C(C5
         =CCC4C7(C)CC(O)C(O)C(CO)(C)C7C(O)CC4(C)C5(C)CC6)C(C)C(C)CC8
CHEM   : 
MOL FOR: C48 H78 O20 
MOL WT : 975.14
------------------------------ 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) =  -1.84
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1212.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.08E-040  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.44E-038  (Modified Grain method)
    Subcooled liquid VP: 5.54E-037 mm Hg (25 deg C, Mod-Grain method)
                       : 7.39E-035 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  18.13
       log Kow used: -1.84 (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 :   6.30E-034  atm-m3/mole  (6.38E-029 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:  7.077E-032 atm-m3/mole  (7.171E-027 Pa-m3/mole)
      VP:   1E-030 mm Hg (source: MPBPVP)
      WS:   18.1 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.84  (KowWin est)
  Log Kaw used:  -31.589  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  29.749
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1355
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1601  (months      )
   Biowin4 (Primary Survey Model) :   3.5368  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1767
   Biowin6 (MITI Non-Linear Model):   0.0002
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7088
 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):  7.39E-035 Pa (5.54E-037 mm Hg)
  Log Koa (Koawin est  ): 29.749
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.06E+028 
       Octanol/air (Koa) model:  1.38E+017 
   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 = 340.8161 E-12 cm3/molecule-sec
      Half-Life =     0.031 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    22.596 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 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    :  7.429E+008  L/kg (MCI method)
      Log Koc:  8.871       (MCI method)
      Koc    :  0.0368  L/kg (Kow method)
      Log Koc:  -1.434      (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.134E-006  L/mol-sec
  Kb Half-Life at pH 8: 1.029E+004  years  
  Kb Half-Life at pH 7: 1.029E+005  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.3417 days (HL = 0.0004553 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8933)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8933)
       log Kow used: -1.84 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.3E-034 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.902E+030  hours   (1.209E+029 days)
    Half-Life from Model Lake : 3.166E+031  hours   (1.319E+030 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.00608         0.626        1000       
   Water     1.29            1.44e+003    1000       
   Soil      29.6            2.88e+003    1000       
   Sediment  69.1            1.3e+004     0          
     Persistence Time: 4.78e+003 hr