CAS Number: 11042-64-1
SMILES : O=C(OC4CCC35C2(C(C1(C(C(CC1)C(C)CCC=C(C)C)(C)CC2)C)CCC3C4(C)C)C5)C=Cc
         6ccc(O)c(OC)c6
CHEM   : 
MOL FOR: C40 H58 O4 
MOL WT : 602.91
------------------------------ EPI SUMMARY (v4.00) --------------------------
    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 v1.67 estimate) =  12.25
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  620.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  268.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.28E-015  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.38E-013  (Modified Grain method)
    Subcooled liquid VP: 1.56E-012 mm Hg (25 deg C, Mod-Grain method)
                       : 2.08E-010 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.345e-009
       log Kow used: 12.25 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.1812e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.63E-009  atm-m3/mole  (1.65E-004 Pa-m3/mole)
   Group Method:   6.89E-011  atm-m3/mole  (6.99E-006 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:  4.868E-007 atm-m3/mole  (4.933E-002 Pa-m3/mole)
      VP:   3.28E-015 mm Hg (source: MPBPVP)
      WS:   5.35E-009 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  12.25  (KowWin est)
  Log Kaw used:  -7.176  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.426
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0372
   Biowin2 (Non-Linear Model)     :   0.0010
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.9447  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.5565  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1818
   Biowin6 (MITI Non-Linear Model):   0.0035
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.5841
 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):  2.08E-010 Pa (1.56E-012 mm Hg)
  Log Koa (Koawin est  ): 19.426
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.44E+004 
       Octanol/air (Koa) model:  6.55E+006 
   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 = 165.8600 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 168.5200 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.774 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.762 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    :  2.176E+009  L/kg (MCI method)
      Log Koc:  9.338       (MCI method)
      Koc    :  7.213E+007  L/kg (Kow method)
      Log Koc:  7.858       (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 v3.00):
   Log BCF from regression-based method = 1.553 (BCF = 35.72 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.7992 days (HL = 629.8 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.072 (BCF = 1.18)
   Log BAF Arnot-Gobas method (upper trophic) = 3.101 (BAF = 1261)
       log Kow used: 12.25 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.89E-011 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.087E+007  hours   (8.694E+005 days)
    Half-Life from Model Lake : 2.276E+008  hours   (9.484E+006 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       0.00395         0.445        1000       
   Water     4.96            4.32e+003    1000       
   Soil      79.9            8.64e+003    1000       
   Sediment  15.2            3.89e+004    0          
     Persistence Time: 5.29e+003 hr