CAS Number: 6424-12-0
SMILES : CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC(=O)C)OC(=O)C)OC(
         =O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
CHEM   : 
MOL FOR: C40 H54 O27 
MOL WT : 966.86
------------------------------ 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) =  -1.34
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  877.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.72E-022  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.29E-020  (Modified Grain method)
    Subcooled liquid VP: 2.42E-018 mm Hg (25 deg C, Mod-Grain method)
                       : 3.23E-016 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  7.762
       log Kow used: -1.34 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1257.8 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.65E-040  atm-m3/mole  (3.70E-035 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:  7.736E-023 atm-m3/mole  (7.839E-018 Pa-m3/mole)
      VP:   4.72E-022 mm Hg (source: MPBPVP)
      WS:   7.76 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.34  (KowWin est)
  Log Kaw used:  -37.826  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  36.486
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2825
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3494  (weeks-months)
   Biowin4 (Primary Survey Model) :   4.7692  (hours       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   2.0557
   Biowin6 (MITI Non-Linear Model):   0.8366
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8475
 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):  3.23E-016 Pa (2.42E-018 mm Hg)
  Log Koa (Koawin est  ): 36.486
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.3E+009 
       Octanol/air (Koa) model:  7.52E+023 
   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 = 120.8447 E-12 cm3/molecule-sec
      Half-Life =     0.089 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.062 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  8.409E+009  L/kg (MCI method)
      Log Koc:  9.925       (MCI method)
      Koc    :  0.3979  L/kg (Kow method)
      Log Koc:  -0.400      (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.205E+000  L/mol-sec
  Kb Half-Life at pH 8:       6.657  days   
  Kb Half-Life at pH 7:      66.575  days   
    (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) = -10.1833 days (HL = 6.557e-011 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8939)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8939)
       log Kow used: -1.34 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.65E-040 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.988E+036  hours   (2.078E+035 days)
    Half-Life from Model Lake : 5.441E+037  hours   (2.267E+036 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       1.4e-021        2.12         1000       
   Water     1.48            900          1000       
   Soil      39.6            1.8e+003     1000       
   Sediment  58.9            8.1e+003     0          
     Persistence Time: 4.15e+003 hr