CAS Number: 139606-31-8
SMILES : CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)O)OC8
         C(C(C(C(O8)C)O)O)O)O)C)C)C)OC1
CHEM   : 
MOL FOR: C39 H62 O13 
MOL WT : 738.92
------------------------------ 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) =  2.49
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  884.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.7E-028  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.27E-026  (Modified Grain method)
    Subcooled liquid VP: 8.73E-025 mm Hg (25 deg C, Mod-Grain method)
                       : 1.16E-022 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.1436
       log Kow used: 2.49 (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 :   1.34E-025  atm-m3/mole  (1.36E-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:  1.151E-027 atm-m3/mole  (1.166E-022 Pa-m3/mole)
      VP:   1.7E-028 mm Hg (source: MPBPVP)
      WS:   0.144 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.49  (KowWin est)
  Log Kaw used:  -23.261  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  25.751
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.1291
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9977  (months      )
   Biowin4 (Primary Survey Model) :   3.1690  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3251
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5567
 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):  1.16E-022 Pa (8.73E-025 mm Hg)
  Log Koa (Koawin est  ): 25.751
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.58E+016 
       Octanol/air (Koa) model:  1.38E+013 
   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 = 292.0289 E-12 cm3/molecule-sec
      Half-Life =     0.037 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.371 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    :  3.673E+005  L/kg (MCI method)
      Log Koc:  5.565       (MCI method)
      Koc    :  8.628  L/kg (Kow method)
      Log Koc:  0.936       (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 = 1.311 (BCF = 20.47 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5737 days (HL = 3.747 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.521 (BCF = 33.17)
   Log BAF Arnot-Gobas method (upper trophic) = 1.521 (BAF = 33.18)
       log Kow used: 2.49 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.34E-025 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.188E+022  hours   (4.949E+020 days)
    Half-Life from Model Lake : 1.296E+023  hours   (5.399E+021 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.07  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.97  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       0.0087          0.711        1000       
   Water     3.1             1.44e+003    1000       
   Soil      38              2.88e+003    1000       
   Sediment  58.8            1.3e+004     0          
     Persistence Time: 3.75e+003 hr