CAS Number: 333333-12-3
SMILES : CC(CC=CC(C)(C)OC1C(C(C(C(O1)CO)O)O)O)C2CCC3(C2(CCC45C3C=CC6(C4CCC(C6(
         C)C)OC7C(C(C(C(O7)CO)O)O)O)OC5)C)C
CHEM   : 
MOL FOR: C42 H68 O13 
MOL WT : 781.00
------------------------------ 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) =  4.03
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  923.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.62E-030  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.83E-028  (Modified Grain method)
    Subcooled liquid VP: 3.39E-026 mm Hg (25 deg C, Mod-Grain method)
                       : 4.53E-024 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.003654
       log Kow used: 4.03 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  64192 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.20E-024  atm-m3/mole  (2.23E-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:  1.862E-027 atm-m3/mole  (1.886E-022 Pa-m3/mole)
      VP:   6.62E-030 mm Hg (source: MPBPVP)
      WS:   0.00365 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.03  (KowWin est)
  Log Kaw used:  -22.046  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  26.076
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.1948
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.4369  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.7872  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5283
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.6202
 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):  4.52E-024 Pa (3.39E-026 mm Hg)
  Log Koa (Koawin est  ): 26.076
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.64E+017 
       Octanol/air (Koa) model:  2.92E+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 = 284.4134 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 292.0133 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   27.077 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   26.372 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.706250 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     2.275000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =   967.173 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =   725.379 Min (at 7E11 mol/cm3) [Trans-isomer]
   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    :  1.047E+007  L/kg (MCI method)
      Log Koc:  7.020       (MCI method)
      Koc    :  75.57  L/kg (Kow method)
      Log Koc:  1.878       (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 = 2.325 (BCF = 211.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2781 days (HL = 0.5271 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.270 (BCF = 186.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.270 (BAF = 186.3)
       log Kow used: 4.03 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.2E-024 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 7.437E+020  hours   (3.099E+019 days)
    Half-Life from Model Lake : 8.113E+021  hours   (3.381E+020 days)
 
 Removal In Wastewater Treatment:
    Total removal:              31.45  percent
    Total biodegradation:        0.33  percent
    Total sludge adsorption:    31.12  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       0.00363         0.855        1000       
   Water     0.733           4.32e+003    1000       
   Soil      39.7            8.64e+003    1000       
   Sediment  59.6            3.89e+004    0          
     Persistence Time: 1.08e+004 hr