CAS Num: 000511-85-3
SMILES : C(C(C=1C)CC2)C(C1)(CCC3C(C4)(C)C)C2C3(CC4)C
CHEM   : KAUR-15-ENE, (5.ALPHA.,9.ALPHA.,10.BETA.)-
MOL FOR: C20 H32 
MOL WT : 272.48
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  7.63

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  320.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  99.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000245  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0326  (Modified Grain method)
    Subcooled liquid VP: 0.00128 mm Hg (25 deg C, Mod-Grain method)
                       : 0.171 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.001557
       log Kow used: 7.63 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00071371 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.54E-001  atm-m3/mole  (3.59E+004 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:  5.642E-002 atm-m3/mole  (5.716E+003 Pa-m3/mole)
      VP:   0.000245 mm Hg (source: MPBPVP)
      WS:   0.00156 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.63  (KowWin est)
  Log Kaw used:  1.161  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.469
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0660
   Biowin2 (Non-Linear Model)     :   0.0024
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9607  (months      )
   Biowin4 (Primary Survey Model) :   2.9943  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3074
   Biowin6 (MITI Non-Linear Model):   0.0735
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.4002
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   2.4464
     BioHC Half-Life (days)     : 279.5122

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.171 Pa (0.00128 mm Hg)
  Log Koa (Koawin est  ): 6.469
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.76E-005 
       Octanol/air (Koa) model:  7.23E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000635 
       Mackay model           :  0.0014 
       Octanol/air (Koa) model:  5.78E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 107.4321 E-12 cm3/molecule-sec
      Half-Life =     0.100 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.195 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec
      Half-Life =     0.084 Days (at 7E11 mol/cm3)
      Half-Life =      2.015 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00102 (Junge-Pankow, Mackay avg)
      5.78E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.534E+005  L/kg (MCI method)
      Log Koc:  5.186       (MCI method)
      Koc    :  4.185E+006  L/kg (Kow method)
      Log Koc:  6.622       (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 v3.00):
   Log BCF from regression-based method = 3.814 (BCF = 6515 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.9647 days (HL = 92.19 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.354 (BCF = 2261)
   Log BAF Arnot-Gobas method (upper trophic) = 6.413 (BAF = 2.586e+006)
       log Kow used: 7.63 (estimated)

 Volatilization from Water:
    Henry LC:  0.354 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.687  hours
    Half-Life from Model Lake :      156.8  hours   (6.534 days)

 Removal In Wastewater Treatment:
    Total removal:              94.79  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    88.76  percent
    Total to Air:                5.33  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0863          1.09         1000       
   Water     11.6            1.44e+003    1000       
   Soil      45.8            2.88e+003    1000       
   Sediment  42.5            1.3e+004     0          
     Persistence Time: 1.15e+003 hr