CAS Number: 333332-49-3
SMILES : CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)OC6C(C(C(C(O6)CO
         )O)O)O)OC4OC)C)C
CHEM   : 
MOL FOR: C38 H62 O9 
MOL WT : 662.91
------------------------------ 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) =  6.67
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  716.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  313.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.78E-022  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.37E-020  (Modified Grain method)
    Subcooled liquid VP: 8.37E-019 mm Hg (25 deg C, Mod-Grain method)
                       : 1.12E-016 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0001245
       log Kow used: 6.67 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.6851 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 :   8.99E-019  atm-m3/mole  (9.11E-014 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:  3.349E-018 atm-m3/mole  (3.393E-013 Pa-m3/mole)
      VP:   4.78E-022 mm Hg (source: MPBPVP)
      WS:   0.000124 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.67  (KowWin est)
  Log Kaw used:  -16.435  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  23.105
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.7735
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.0580  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.4398  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1170
   Biowin6 (MITI Non-Linear Model):   0.0001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -3.3742
 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):  1.12E-016 Pa (8.37E-019 mm Hg)
  Log Koa (Koawin est  ): 23.105
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.69E+010 
       Octanol/air (Koa) model:  3.13E+010 
   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 = 225.1412 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 232.7412 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.570 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.551 Hrs (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 =    16.120 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    12.090 Hrs (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    :  1.176E+005  L/kg (MCI method)
      Log Koc:  5.070       (MCI method)
      Koc    :  2181  L/kg (Kow method)
      Log Koc:  3.339       (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 = 4.068 (BCF = 1.169e+004 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.4022 days (HL = 25.25 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.609 (BCF = 4064)
   Log BAF Arnot-Gobas method (upper trophic) = 5.420 (BAF = 2.633e+005)
       log Kow used: 6.67 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.99E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.677E+015  hours   (6.987E+013 days)
    Half-Life from Model Lake : 1.829E+016  hours   (7.622E+014 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.63  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.85  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       0.00706         1.06         1000       
   Water     3.14            4.32e+003    1000       
   Soil      63.2            8.64e+003    1000       
   Sediment  33.7            3.89e+004    0          
     Persistence Time: 6.83e+003 hr