CAS Number: 265092-97-5
SMILES : CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(
         C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)O)C)C)C)OC1
CHEM   : 
MOL FOR: C45 H72 O17 
MOL WT : 885.07
------------------------------ 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) =  3.15
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1051.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.21E-034  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.62E-032  (Modified Grain method)
    Subcooled liquid VP: 6.21E-031 mm Hg (25 deg C, Mod-Grain method)
                       : 8.28E-029 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.004079
       log Kow used: 3.15 (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 :   3.37E-032  atm-m3/mole  (3.41E-027 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:  2.855E-028 atm-m3/mole  (2.893E-023 Pa-m3/mole)
      VP:   1E-030 mm Hg (source: MPBPVP)
      WS:   0.00408 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.15  (KowWin est)
  Log Kaw used:  -29.861  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  33.011
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.5759
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9773  (months      )
   Biowin4 (Primary Survey Model) :   3.1976  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2782
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.6880
 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):  8.28E-029 Pa (6.21E-031 mm Hg)
  Log Koa (Koawin est  ): 33.011
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.62E+022 
       Octanol/air (Koa) model:  2.52E+020 
   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 = 354.2143 E-12 cm3/molecule-sec
      Half-Life =     0.030 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.741 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   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    :  1.389E+007  L/kg (MCI method)
      Log Koc:  7.143       (MCI method)
      Koc    :  16.23  L/kg (Kow method)
      Log Koc:  1.210       (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 = 1.745 (BCF = 55.54 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5859 days (HL = 3.854 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.138 (BCF = 137.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.139 (BAF = 137.7)
       log Kow used: 3.15 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.37E-032 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.169E+028  hours   (2.154E+027 days)
    Half-Life from Model Lake : 5.638E+029  hours   (2.349E+028 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.19  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.05  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       0.00584         0.607        1000       
   Water     1.34            1.44e+003    1000       
   Soil      30.1            2.88e+003    1000       
   Sediment  68.6            1.3e+004     0          
     Persistence Time: 4.76e+003 hr