CAS Number: 34424-57-2
SMILES : CC1CC23CCC4C(CC=CC4(C2CCC1C3)C)(C)C
CHEM   : kaurene
MOL FOR: C20 H32 
MOL WT : 272.48
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  7.50
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  317.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  93.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00032  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0427  (Modified Grain method)
    Subcooled liquid VP: 0.00148 mm Hg (25 deg C, Mod-Grain method)
                       : 0.197 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.002009
       log Kow used: 7.50 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00045273 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.00E-001  atm-m3/mole  (3.04E+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:  5.711E-002 atm-m3/mole  (5.786E+003 Pa-m3/mole)
      VP:   0.00032 mm Hg (source: MPBPVP)
      WS:   0.00201 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.50  (KowWin est)
  Log Kaw used:  1.089  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.411
      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)    :   0.3063
   Biowin6 (MITI Non-Linear Model):   0.0536
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.3142
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.8523
     BioHC Half-Life (days)     :  71.1742
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.197 Pa (0.00148 mm Hg)
  Log Koa (Koawin est  ): 6.411
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.52E-005 
       Octanol/air (Koa) model:  6.32E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000549 
       Mackay model           :  0.00121 
       Octanol/air (Koa) model:  5.06E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  77.0879 E-12 cm3/molecule-sec
      Half-Life =     0.139 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.665 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000882 (Junge-Pankow, Mackay avg)
      5.06E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.067E+005  L/kg (MCI method)
      Log Koc:  5.487       (MCI method)
      Koc    :  3.227E+006  L/kg (Kow method)
      Log Koc:  6.509       (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 = 3.877 (BCF = 7542 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.9400 days (HL = 87.1 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.436 (BCF = 2730)
   Log BAF Arnot-Gobas method (upper trophic) = 6.410 (BAF = 2.571e+006)
       log Kow used: 7.50 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.3 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.688  hours
    Half-Life from Model Lake :      156.8  hours   (6.534 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.88  percent
    Total biodegradation:        0.69  percent
    Total sludge adsorption:    88.21  percent
    Total to Air:                5.98  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.122           2.93         1000       
   Water     6.17            1.44e+003    1000       
   Soil      43.9            2.88e+003    1000       
   Sediment  49.8            1.3e+004     0          
     Persistence Time: 1.87e+003 hr