CAS Number: 470-08-6
SMILES : OC2C1(CCC(C1)C2(C)C)C
CHEM   : (1S,4R,6R)-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol
MOL FOR: C10 H18 O1 
MOL WT : 154.25
------------------------------ 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) =  2.85
    Log Kow (Exper. database match) =  3.17
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  209.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  26.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0247  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.3  (Modified Grain method)
    MP  (exp database):  43.5 deg C
    VP  (exp database):  1.13E-01 mm Hg (1.51E+001 Pa) at 25 deg C
    Subcooled liquid VP: 0.172 mm Hg (25 deg C, exp database VP )
                       : 23 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  461.4
       log Kow used: 3.17 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  828 mg/L (25 deg C)
        Exper. Ref:  FICHAN,I ET AL. (1999)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  742.39 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.70E-006  atm-m3/mole  (6.79E-001 Pa-m3/mole)
   Group Method:   2.94E-006  atm-m3/mole  (2.98E-001 Pa-m3/mole)
   Exper Database: 2.77E-05  atm-m3/mole  (2.81E+000 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:  1.087E-005 atm-m3/mole  (1.101E+000 Pa-m3/mole)
      VP:   0.0247 mm Hg (source: MPBPVP)
      WS:   461 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.17  (exp database)
  Log Kaw used:  -2.946  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.116
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4650
   Biowin2 (Non-Linear Model)     :   0.1809
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5940  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4478  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6349
   Biowin6 (MITI Non-Linear Model):   0.5947
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2195
 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):  22.9 Pa (0.172 mm Hg)
  Log Koa (Koawin est  ): 6.116
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.31E-007 
       Octanol/air (Koa) model:  3.21E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.72E-006 
       Mackay model           :  1.05E-005 
       Octanol/air (Koa) model:  2.56E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.0825 E-12 cm3/molecule-sec
      Half-Life =     0.965 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.582 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.59E-006 (Junge-Pankow, Mackay avg)
      2.56E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  74.33  L/kg (MCI method)
      Log Koc:  1.871       (MCI method)
      Koc    :  185  L/kg (Kow method)
      Log Koc:  2.267       (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 = 1.759 (BCF = 57.35 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0802 days (HL = 1.203 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.078 (BCF = 119.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.078 (BAF = 119.6)
       log Kow used: 3.17 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.77E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      27.52  hours   (1.147 days)
    Half-Life from Model Lake :      404.3  hours   (16.85 days)
 
 Removal In Wastewater Treatment:
    Total removal:               8.77  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.23  percent
    Total to Air:                1.41  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.35            23.2         1000       
   Water     25.6            900          1000       
   Soil      73              1.8e+003     1000       
   Sediment  0.14            8.1e+003     0          
     Persistence Time: 786 hr