CAS Number: 66068-84-6
SMILES : OC(CCC(C(C(CC1C2(C)C)C2C)C1)C3)C3
CHEM   : Cyclohexanol, 4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)-
MOL FOR: C16 H28 O1 
MOL WT : 236.40
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  5.50
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  315.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  87.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.22E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00162  (Modified Grain method)
    Subcooled liquid VP: 4.85E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00647 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.817
       log Kow used: 5.50 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.3636 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.62E-005  atm-m3/mole  (1.64E+000 Pa-m3/mole)
   Group Method:   4.66E-006  atm-m3/mole  (4.72E-001 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:  2.089E-006 atm-m3/mole  (2.116E-001 Pa-m3/mole)
      VP:   1.22E-005 mm Hg (source: MPBPVP)
      WS:   1.82 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.50  (KowWin est)
  Log Kaw used:  -3.179  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.679
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6098
   Biowin2 (Non-Linear Model)     :   0.2782
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6246  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4827  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4319
   Biowin6 (MITI Non-Linear Model):   0.1002
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0875
 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):  0.00647 Pa (4.85E-005 mm Hg)
  Log Koa (Koawin est  ): 8.679
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000464 
       Octanol/air (Koa) model:  0.000117 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0165 
       Mackay model           :  0.0358 
       Octanol/air (Koa) model:  0.00929 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.8061 E-12 cm3/molecule-sec
      Half-Life =     0.371 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.456 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0261 (Junge-Pankow, Mackay avg)
      0.00929 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2827  L/kg (MCI method)
      Log Koc:  3.451       (MCI method)
      Koc    :  3596  L/kg (Kow method)
      Log Koc:  3.556       (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 v3.01):
   Log BCF from regression-based method = 3.298 (BCF = 1985 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.2241 days (HL = 16.75 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.671 (BCF = 4693)
   Log BAF Arnot-Gobas method (upper trophic) = 4.241 (BAF = 1.742e+004)
       log Kow used: 5.50 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.66E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      194.7  hours   (8.114 days)
    Half-Life from Model Lake :       2253  hours   (93.89 days)
 
 Removal In Wastewater Treatment:
    Total removal:              88.28  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    87.52  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.354           8.91         1000       
   Water     17.1            900          1000       
   Soil      79.9            1.8e+003     1000       
   Sediment  2.71            8.1e+003     0          
     Persistence Time: 1.08e+003 hr