CAS Number: 75884-34-3
SMILES : CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=Cc6cc(c(cc
         6)O)O)C)C
CHEM   : 
MOL FOR: C39 H56 O4 
MOL WT : 588.88
------------------------------ 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) =  11.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  631.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  273.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.23E-016  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.64E-014  (Modified Grain method)
    Subcooled liquid VP: 6.77E-014 mm Hg (25 deg C, Mod-Grain method)
                       : 9.02E-012 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.575e-008
       log Kow used: 11.94 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.4142e-006 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 :   2.87E-012  atm-m3/mole  (2.91E-007 Pa-m3/mole)
   Group Method:   1.04E-014  atm-m3/mole  (1.06E-009 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:  2.083E-009 atm-m3/mole  (2.111E-004 Pa-m3/mole)
      VP:   1.23E-016 mm Hg (source: MPBPVP)
      WS:   4.58E-008 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.94  (KowWin est)
  Log Kaw used:  -9.931  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.871
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0467
   Biowin2 (Non-Linear Model)     :   0.0003
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.0902  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.5393  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0921
   Biowin6 (MITI Non-Linear Model):   0.0022
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.6018
 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):  9.03E-012 Pa (6.77E-014 mm Hg)
  Log Koa (Koawin est  ): 21.871
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.32E+005 
       Octanol/air (Koa) model:  1.82E+009 
   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 = 159.6377 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 162.2977 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.804 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.791 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    44.049999 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    45.099998 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     0.624 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.610 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   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    :  4.362E+009  L/kg (MCI method)
      Log Koc:  9.640       (MCI method)
      Koc    :  6.274E+007  L/kg (Kow method)
      Log Koc:  7.798       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.826E-003  L/mol-sec
  Kb Half-Life at pH 8:       7.773  years  
  Kb Half-Life at pH 7:      77.731  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.702 (BCF = 50.39 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.0930 days (HL = 123.9 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.046 (BCF = 1.111)
   Log BAF Arnot-Gobas method (upper trophic) = 2.763 (BAF = 579.9)
       log Kow used: 11.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.04E-014 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.366E+011  hours   (5.692E+009 days)
    Half-Life from Model Lake :  1.49E+012  hours   (6.21E+010 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       0.00307         0.45         1000       
   Water     3.08            4.32e+003    1000       
   Soil      62.1            8.64e+003    1000       
   Sediment  34.8            3.89e+004    0          
     Persistence Time: 6.83e+003 hr