CAS Number: 6754-68-3
SMILES : CC12CCCC(=C)C1CC(CC2)CC(C)(C)O
CHEM   : 1-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)
         -2-methylpropan-2-ol
MOL FOR: C16 H28 O1 
MOL WT : 236.40
------------------------------ 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) =  5.38
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  301.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  80.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.66E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00488  (Modified Grain method)
    Subcooled liquid VP: 0.000122 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0163 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.332
       log Kow used: 5.38 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.8199 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.23E-005  atm-m3/mole  (3.27E+000 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:  4.882E-006 atm-m3/mole  (4.947E-001 Pa-m3/mole)
      VP:   3.66E-005 mm Hg (source: MPBPVP)
      WS:   2.33 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.38  (KowWin est)
  Log Kaw used:  -2.879  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.259
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2671
   Biowin2 (Non-Linear Model)     :   0.0220
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2525  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.1998  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3504
   Biowin6 (MITI Non-Linear Model):   0.1423
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8333
 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):  0.0163 Pa (0.000122 mm Hg)
  Log Koa (Koawin est  ): 8.259
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000184 
       Octanol/air (Koa) model:  4.46E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00662 
       Mackay model           :  0.0145 
       Octanol/air (Koa) model:  0.00355 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  71.8656 E-12 cm3/molecule-sec
      Half-Life =     0.149 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.786 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.0106 (Junge-Pankow, Mackay avg)
      0.00355 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2232  L/kg (MCI method)
      Log Koc:  3.349       (MCI method)
      Koc    :  3087  L/kg (Kow method)
      Log Koc:  3.489       (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 = 3.214 (BCF = 1637 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1196 days (HL = 13.17 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.585 (BCF = 3846)
   Log BAF Arnot-Gobas method (upper trophic) = 3.966 (BAF = 9252)
       log Kow used: 5.38 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.23E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      29.44  hours   (1.227 days)
    Half-Life from Model Lake :      450.1  hours   (18.75 days)
 
 Removal In Wastewater Treatment:
    Total removal:              86.61  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    85.73  percent
    Total to Air:                0.14  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.158           3.09         1000       
   Water     15.8            900          1000       
   Soil      82.1            1.8e+003     1000       
   Sediment  1.98            8.1e+003     0          
     Persistence Time: 1.03e+003 hr