CAS Number: 69884-00-0
SMILES : CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C6(CCC(O6)C(C)(C)O)C)C
         )O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O
CHEM   : 
MOL FOR: C42 H72 O14 
MOL WT : 801.03
------------------------------ 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) =  1.10
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  945.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.03E-030  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.37E-028  (Modified Grain method)
    Subcooled liquid VP: 5.27E-027 mm Hg (25 deg C, Mod-Grain method)
                       : 7.02E-025 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.8565
       log Kow used: 1.10 (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
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.04E-025  atm-m3/mole  (1.05E-020 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:  1.267E-030 atm-m3/mole  (1.284E-025 Pa-m3/mole)
      VP:   1.03E-030 mm Hg (source: MPBPVP)
      WS:   0.857 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.10  (KowWin est)
  Log Kaw used:  -23.371  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  24.471
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.2043
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.3927  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.7583  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4662
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.3336
 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):  7.03E-025 Pa (5.27E-027 mm Hg)
  Log Koa (Koawin est  ): 24.471
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.27E+018 
       Octanol/air (Koa) model:  7.26E+011 
   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 = 227.8796 E-12 cm3/molecule-sec
      Half-Life =     0.047 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.563 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    :  1.209E+007  L/kg (MCI method)
      Log Koc:  7.082       (MCI method)
      Koc    :  1.81  L/kg (Kow method)
      Log Koc:  0.258       (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 = 0.390 (BCF = 2.453 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.4942 days (HL = 0.03204 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.205 (BCF = 1.603)
   Log BAF Arnot-Gobas method (upper trophic) = 0.205 (BAF = 1.603)
       log Kow used: 1.10 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.04E-025 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.593E+022  hours   (6.639E+020 days)
    Half-Life from Model Lake : 1.738E+023  hours   (7.242E+021 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  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       0.00469         1.13         1000       
   Water     0.725           4.32e+003    1000       
   Soil      39.8            8.64e+003    1000       
   Sediment  59.4            3.89e+004    0          
     Persistence Time: 1.09e+004 hr