CAS Number: 32719-43-0
SMILES : CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC(C(O)(C)C)CCC(O)(C)C)C)C)C)C=CC=C(C=CC=
         C(C=CC(C(O)(C)C)CCC(O)(C)C)C)C
CHEM   : 
MOL FOR: C50 H76 O4 
MOL WT : 741.16
------------------------------ 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) =  16.39
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  786.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  346.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.94E-025  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.92E-023  (Modified Grain method)
    Subcooled liquid VP: 2.76E-021 mm Hg (25 deg C, Mod-Grain method)
                       : 3.68E-019 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.86e-013
       log Kow used: 16.39 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.4116e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.14E-006  atm-m3/mole  (6.22E-001 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:  3.114E-012 atm-m3/mole  (3.156E-007 Pa-m3/mole)
      VP:   5.94E-025 mm Hg (source: MPBPVP)
      WS:   1.86E-013 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  16.39  (KowWin est)
  Log Kaw used:  -3.600  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.990
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3410
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.7128  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.1647  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.9965
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -3.3131
 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):  3.68E-019 Pa (2.76E-021 mm Hg)
  Log Koa (Koawin est  ): 19.990
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.15E+012 
       Octanol/air (Koa) model:  2.4E+007 
   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 = 656.4677 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 662.9277 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   11.731 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   11.617 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    50.586250 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    51.155003 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    32.622 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    32.260 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    :  1E+010  L/kg (MCI method)
      Log Koc:  10.882      (MCI method)
      Koc    :  1.472E+009  L/kg (Kow method)
      Log Koc:  9.168       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 5.5300 days (HL = 3.389e+005 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
   Log BAF Arnot-Gobas method (upper trophic) = 0.028 (BAF = 1.067)
       log Kow used: 16.39 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.14E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      262.4  hours   (10.93 days)
    Half-Life from Model Lake :       3091  hours   (128.8 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       0.00241         0.227        1000       
   Water     6.43            4.32e+003    1000       
   Soil      93.6            8.64e+003    1000       
   Sediment  0.0068          3.89e+004    0          
     Persistence Time: 4.48e+003 hr