CAS Number: 122168-40-5
SMILES : CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C
         O)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)COC(=O)C)O
CHEM   : 
MOL FOR: C43 H66 O14 
MOL WT : 807.00
------------------------------ EPI SUMMARY (v4.10) --------------------------
    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) =  4.21
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  922.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.82E-030  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.09E-028  (Modified Grain method)
    Subcooled liquid VP: 3.49E-026 mm Hg (25 deg C, Mod-Grain method)
                       : 4.66E-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):  0.004211
       log Kow used: 4.21 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  27715 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters-acid
       Methacrylates-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.89E-025  atm-m3/mole  (3.94E-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:  1.720E-027 atm-m3/mole  (1.743E-022 Pa-m3/mole)
      VP:   6.82E-030 mm Hg (source: MPBPVP)
      WS:   0.00421 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.21  (KowWin est)
  Log Kaw used:  -22.799  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  27.009
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0615
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7306  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.3635  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9578
   Biowin6 (MITI Non-Linear Model):   0.0047
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5346
 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):  4.65E-024 Pa (3.49E-026 mm Hg)
  Log Koa (Koawin est  ): 27.009
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.45E+017 
       Octanol/air (Koa) model:  2.51E+014 
   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 = 239.2471 E-12 cm3/molecule-sec
      Half-Life =     0.045 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.536 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    14.787499 E-17 cm3/molecule-sec
      Half-Life =     0.077 Days (at 7E11 mol/cm3)
      Half-Life =      1.860 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    :  5.849E+005  L/kg (MCI method)
      Log Koc:  5.767       (MCI method)
      Koc    :  22.34  L/kg (Kow method)
      Log Koc:  1.349       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.045E-002  L/mol-sec
  Kb Half-Life at pH 8:     198.298  days   
  Kb Half-Life at pH 7:       5.429  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8711 days (HL = 0.1346 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.748 (BCF = 56.04)
   Log BAF Arnot-Gobas method (upper trophic) = 1.748 (BAF = 56.04)
       log Kow used: 4.21 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.89E-025 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.276E+021  hours   (1.782E+020 days)
    Half-Life from Model Lake : 4.664E+022  hours   (1.943E+021 days)
 
 Removal In Wastewater Treatment:
    Total removal:              40.46  percent
    Total biodegradation:        0.40  percent
    Total sludge adsorption:    40.06  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       0.00335         0.68         1000       
   Water     1.33            4.32e+003    1000       
   Soil      45.2            8.64e+003    1000       
   Sediment  53.4            3.89e+004    0          
     Persistence Time: 9.41e+003 hr