CAS Number: 174902-16-0
SMILES : CC1CC(OC1(=O))CC(C(C)C2CCC3C4(CCC(C(C4CCC3(C25CC(=O)OC5)C)(C)C)OC6C(C
         (C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)OC(=O)C
CHEM   : 
MOL FOR: C44 H70 O16 
MOL WT : 855.04
------------------------------ 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) =  2.54
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1018.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.01E-033  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.68E-031  (Modified Grain method)
    Subcooled liquid VP: 1.03E-029 mm Hg (25 deg C, Mod-Grain method)
                       : 1.37E-027 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.02172
       log Kow used: 2.54 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  477.1 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.05E-027  atm-m3/mole  (1.06E-022 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:  5.180E-029 atm-m3/mole  (5.248E-024 Pa-m3/mole)
      VP:   1E-030 mm Hg (source: MPBPVP)
      WS:   0.0217 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.54  (KowWin est)
  Log Kaw used:  -25.367  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  27.907
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3098
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8069  (months      )
   Biowin4 (Primary Survey Model) :   3.4250  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8202
   Biowin6 (MITI Non-Linear Model):   0.0012
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5829
 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):  1.37E-027 Pa (1.03E-029 mm Hg)
  Log Koa (Koawin est  ): 27.907
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.18E+021 
       Octanol/air (Koa) model:  1.98E+015 
   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 = 177.3109 E-12 cm3/molecule-sec
      Half-Life =     0.060 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.724 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    :  3.357E+006  L/kg (MCI method)
      Log Koc:  6.526       (MCI method)
      Koc    :  10.32  L/kg (Kow method)
      Log Koc:  1.014       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.276E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.722  years  
  Kb Half-Life at pH 7:      17.218  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.341 (BCF = 21.92 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.2837 days (HL = 0.0005204 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.571 (BCF = 3.722)
   Log BAF Arnot-Gobas method (upper trophic) = 0.571 (BAF = 3.722)
       log Kow used: 2.54 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.05E-027 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  1.63E+024  hours   (6.794E+022 days)
    Half-Life from Model Lake : 1.779E+025  hours   (7.411E+023 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.21  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.11  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       0.0138          1.45         1000       
   Water     1.51            1.44e+003    1000       
   Soil      31.2            2.88e+003    1000       
   Sediment  67.3            1.3e+004     0          
     Persistence Time: 4.67e+003 hr