CAS Number: 90498-90-1
SMILES : Cc1cc(cc(c1O)C(C)(C)C)CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(OC3)C(C)(C)COC(=
         O)CCc4cc(c(c(c4)C)O)C(C)(C)C
CHEM   : 
MOL FOR: C43 H64 O10 
MOL WT : 740.98
------------------------------ 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) =  10.42
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  747.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  328.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.03E-021  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.05E-019  (Modified Grain method)
    Subcooled liquid VP: 1.63E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 2.18E-015 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  9.044e-008
       log Kow used: 10.42 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.118e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.31E-022  atm-m3/mole  (1.33E-017 Pa-m3/mole)
   Group Method:   3.01E-026  atm-m3/mole  (3.05E-021 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  6.501E-014 atm-m3/mole  (6.587E-009 Pa-m3/mole)
      VP:   6.03E-021 mm Hg (source: MPBPVP)
      WS:   9.04E-008 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.42  (KowWin est)
  Log Kaw used:  -20.271  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  30.691
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.1156
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.5602  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.2357  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0224
   Biowin6 (MITI Non-Linear Model):   0.0003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -3.8207
 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):  2.17E-015 Pa (1.63E-017 mm Hg)
  Log Koa (Koawin est  ): 30.691
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.38E+009 
       Octanol/air (Koa) model:  1.21E+018 
   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 =  92.7772 E-12 cm3/molecule-sec
      Half-Life =     0.115 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.383 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   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    :  1.141E+007  L/kg (MCI method)
      Log Koc:  7.057       (MCI method)
      Koc    :  3.379E+006  L/kg (Kow method)
      Log Koc:  6.529       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.320E-002  L/mol-sec
  Kb Half-Life at pH 8:     150.783  days   
  Kb Half-Life at pH 7:       4.128  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.228 (BCF = 169.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5605 days (HL = 0.2751 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.039 (BCF = 0.914)
   Log BAF Arnot-Gobas method (upper trophic) = -0.037 (BAF = 0.9175)
       log Kow used: 10.42 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.31E-022 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.217E+019  hours   (5.069E+017 days)
    Half-Life from Model Lake : 1.327E+020  hours   (5.53E+018 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       3.12e-005       2.77         1000       
   Water     3.58            4.32e+003    1000       
   Soil      92.4            8.64e+003    1000       
   Sediment  3.98            3.89e+004    0          
     Persistence Time: 8.52e+003 hr