CAS Number: 316141-31-8
SMILES : CC12CCCC(C1C(C(C34C2CCC(C3)(C(C4)(COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)(C)
         C(=O)O
CHEM   : 
MOL FOR: C26 H42 O12 
MOL WT : 546.62
------------------------------ EPI SUMMARY (v4.11) --------------------------
    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) =  -2.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  768.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  338.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.36E-024  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.48E-022  (Modified Grain method)
    Subcooled liquid VP: 1.21E-020 mm Hg (25 deg C, Mod-Grain method)
                       : 1.62E-018 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.865e+005
       log Kow used: -2.94 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.28E-024  atm-m3/mole  (1.30E-019 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:  8.435E-030 atm-m3/mole  (8.547E-025 Pa-m3/mole)
      VP:   3.36E-024 mm Hg (source: MPBPVP)
      WS:   2.87E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.94  (KowWin est)
  Log Kaw used:  -22.281  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.341
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1020
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2377  (months      )
   Biowin4 (Primary Survey Model) :   3.4347  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9247
   Biowin6 (MITI Non-Linear Model):   0.0509
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9584
 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):  1.61E-018 Pa (1.21E-020 mm Hg)
  Log Koa (Koawin est  ): 19.341
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.86E+012 
       Octanol/air (Koa) model:  5.38E+006 
   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 = 128.4714 E-12 cm3/molecule-sec
      Half-Life =     0.083 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.999 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    :  5901  L/kg (MCI method)
      Log Koc:  3.771       (MCI method)
      Koc    :  0.003353  L/kg (Kow method)
      Log Koc:  -2.475      (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 v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.1804 days (HL = 0.0006601 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: -2.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.28E-024 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.069E+021  hours   (4.456E+019 days)
    Half-Life from Model Lake : 1.167E+022  hours   (4.861E+020 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       0.00123         2            1000       
   Water     8.38            1.44e+003    1000       
   Soil      87.9            2.88e+003    1000       
   Sediment  3.69            1.3e+004     0          
     Persistence Time: 2.92e+003 hr