CAS Number: 110671-73-3
SMILES : CCCCCCCCC=CCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCC(C)C
         (C)C)C)C
CHEM   : 
MOL FOR: C50 H88 O2 
MOL WT : 721.26
------------------------------ 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) =  19.77
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  682.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  297.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.38E-016  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.84E-014  (Modified Grain method)
    Subcooled liquid VP: 4.84E-013 mm Hg (25 deg C, Mod-Grain method)
                       : 6.46E-011 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.319e-016
       log Kow used: 19.77 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.2126e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.67E+000  atm-m3/mole  (3.72E+005 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:  2.859E+000 atm-m3/mole  (2.897E+005 Pa-m3/mole)
      VP:   1E-015 mm Hg (source: MPBPVP)
      WS:   3.32E-016 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  19.77  (KowWin est)
  Log Kaw used:  2.176  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.594
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3189
   Biowin2 (Non-Linear Model)     :   0.0085
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6196  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.9983  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1232
   Biowin6 (MITI Non-Linear Model):   0.0050
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.4964
 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):  6.45E-011 Pa (4.84E-013 mm Hg)
  Log Koa (Koawin est  ): 17.594
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.65E+004 
       Octanol/air (Koa) model:  9.64E+004 
   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 = 205.4342 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 213.0342 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.625 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.602 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.393749 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    27.393749 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.349 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.004 Hrs (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:  12.386      (MCI method)
      Koc    :  6.236E+011  L/kg (Kow method)
      Log Koc:  11.795      (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.477E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.487  years  
  Kb Half-Life at pH 7:      14.869  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) = 4.9840 days (HL = 9.638e+004 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8931)
       log Kow used: 19.77 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.67 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.741  hours
    Half-Life from Model Lake :      255.1  hours   (10.63 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       0.00663         0.649        1000       
   Water     6.36            4.32e+003    1000       
   Soil      93.6            8.64e+003    1000       
   Sediment  2.8e-006        3.89e+004    0          
     Persistence Time: 4.54e+003 hr