CAS Num: 000585-88-6
SMILES : O1C(O)C(O)C(O)C(OCC(O)C(O)C(O)C(O)CO)C1CO
CHEM   : 
MOL FOR: C12 H24 O11 
MOL WT : 344.32
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -5.53

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  596.94  (Adapted Stein & Brown method)
    Melting Pt (deg C):  257.88  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.55E-016  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.73E-014  (Modified Grain method)
    MP  (exp database):  146 deg C
    Subcooled liquid VP: 1.1E-014 mm Hg (25 deg C, Mod-Grain method)
                       : 1.47E-012 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -5.53 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6.67e+005 mg/L (25 deg C)
        Exper. Ref:  MERCK INDEX (1996)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.38E-022  atm-m3/mole  (8.50E-017 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:  2.967E-022 atm-m3/mole  (3.007E-017 Pa-m3/mole)
      VP:   6.55E-016 mm Hg (source: MPBPVP)
      WS:   1E+006 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -5.53  (KowWin est)
  Log Kaw used:  -19.465  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.935
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3175
   Biowin2 (Non-Linear Model)     :   0.7893
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.8607  (days        )
   Biowin4 (Primary Survey Model) :   4.4965  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1488
   Biowin6 (MITI Non-Linear Model):   0.8390
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1283
 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):  1.47E-012 Pa (1.1E-014 mm Hg)
  Log Koa (Koawin est  ): 13.935
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.05E+006 
       Octanol/air (Koa) model:  21.1 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.999 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 164.6978 E-12 cm3/molecule-sec
      Half-Life =     0.065 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.779 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      0.999 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  65.88  L/kg (MCI method)
      Log Koc:  1.819       (MCI method)
      Koc    :  0.0007281  L/kg (Kow method)
      Log Koc:  -3.138      (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 v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -5.3485 days (HL = 4.482e-006 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
       log Kow used: -5.53 (estimated)

 Volatilization from Water:
    Henry LC:  8.38E-022 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.296E+018  hours   (5.402E+016 days)
    Half-Life from Model Lake : 1.414E+019  hours   (5.893E+017 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       6.08e-007       1.56         1000       
   Water     22.1            55.9         1000       
   Soil      77.9            112          1000       
   Sediment  0.051           503          0          
     Persistence Time: 128 hr