CAS Number: 604-68-2
SMILES : O=C(OC(OC(C(OC(=O)C)C1OC(=O)C)COC(=O)C)C1OC(=O)C)C
CHEM   : .alpha.-D-Glucopyranose, pentaacetate
MOL FOR: C16 H22 O11 
MOL WT : 390.35
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.75
    Log Kow (Exper. database match) =  0.63
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  408.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  110.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.14E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.52E-005  (Modified Grain method)
    MP  (exp database):  134 deg C
    Subcooled liquid VP: 5.15E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000686 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1018
       log Kow used: 0.63 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  900 mg/L (18 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.6145e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.14E-017  atm-m3/mole  (1.15E-012 Pa-m3/mole)
   Group Method:   5.73E-019  atm-m3/mole  (5.81E-014 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.089E-010 atm-m3/mole  (2.116E-005 Pa-m3/mole)
      VP:   4.14E-007 mm Hg (source: MPBPVP)
      WS:   1.02E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.63  (exp database)
  Log Kaw used:  -15.332  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.962
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0853
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0289  (weeks       )
   Biowin4 (Primary Survey Model) :   4.4196  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.3847
   Biowin6 (MITI Non-Linear Model):   0.9630
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2635
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.000687 Pa (5.15E-006 mm Hg)
  Log Koa (Koawin est  ): 15.962
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00437 
       Octanol/air (Koa) model:  2.25E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.136 
       Mackay model           :  0.259 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  57.3300 E-12 cm3/molecule-sec
      Half-Life =     0.187 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.239 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.198 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4504  L/kg (MCI method)
      Log Koc:  3.654       (MCI method)
      Koc    :  11.27  L/kg (Kow method)
      Log Koc:  1.052       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.942E+000  L/mol-sec
  Kb Half-Life at pH 8:       4.131  days   
  Kb Half-Life at pH 7:      41.307  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -4.8576 days (HL = 1.388e-005 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.012 (BCF = 0.9731)
   Log BAF Arnot-Gobas method (upper trophic) = -0.012 (BAF = 0.9731)
       log Kow used: 0.63 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.14E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.015E+014  hours   (4.228E+012 days)
    Half-Life from Model Lake : 1.107E+015  hours   (4.612E+013 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       2.56e-010       4.48         1000       
   Water     15.6            360          1000       
   Soil      82.2            720          1000       
   Sediment  2.17            3.24e+003    0          
     Persistence Time: 798 hr