CAS Number: 32911-62-9
SMILES : CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)O)
         C
CHEM   : 
MOL FOR: C28 H38 O6 
MOL WT : 470.61
------------------------------ 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) =  2.90
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  588.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  253.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.83E-016  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.77E-014  (Modified Grain method)
    Subcooled liquid VP: 8.78E-014 mm Hg (25 deg C, Mod-Grain method)
                       : 1.17E-011 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.692
       log Kow used: 2.90 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  39.198 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Epoxides, mono
       Methacrylates
       Vinyl/Allyl Ketones
       Ketone alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.43E-017  atm-m3/mole  (8.54E-012 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:  4.746E-017 atm-m3/mole  (4.809E-012 Pa-m3/mole)
      VP:   2.83E-016 mm Hg (source: MPBPVP)
      WS:   3.69 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.90  (KowWin est)
  Log Kaw used:  -14.463  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.363
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3786
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.4198  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.7520  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2654
   Biowin6 (MITI Non-Linear Model):   0.0036
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.9670
 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):  1.17E-011 Pa (8.78E-014 mm Hg)
  Log Koa (Koawin est  ): 17.363
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.56E+005 
       Octanol/air (Koa) model:  5.66E+004 
   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 = 129.9960 E-12 cm3/molecule-sec
      Half-Life =     0.082 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.987 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    49.196873 E-17 cm3/molecule-sec
      Half-Life =     0.023 Days (at 7E11 mol/cm3)
      Half-Life =     33.544 Min
   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    :  869.5  L/kg (MCI method)
      Log Koc:  2.939       (MCI method)
      Koc    :  55.68  L/kg (Kow method)
      Log Koc:  1.746       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  6.541E-004  L/mol-sec
  Ka Half-Life at pH 7:     335.770  years  
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.579 (BCF = 37.97 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4112 days (HL = 0.388 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.737 (BCF = 54.58)
   Log BAF Arnot-Gobas method (upper trophic) = 1.737 (BAF = 54.58)
       log Kow used: 2.90 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.43E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.507E+013  hours   (6.278E+011 days)
    Half-Life from Model Lake : 1.644E+014  hours   (6.848E+012 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.92  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.81  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       0.00178         0.436        1000       
   Water     6.27            4.32e+003    1000       
   Soil      93.3            8.64e+003    1000       
   Sediment  0.421           3.89e+004    0          
     Persistence Time: 5.67e+003 hr