CAS Num: 000076-22-2
SMILES : O=C(C(C(C1C2)(C)C)(C2)C)C1
CHEM   : Bicyclo 2.2.1 heptan-2-one, 1,7,7-trimethyl-
MOL FOR: C10 H16 O1 
MOL WT : 152.24
------------------------------ 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) =  3.04
    Log Kow (Exper. database match) =  2.38
       Exper. Ref:  DAYLIGHT (1999)
    Log Kow (Exper. database match) =  2.74
       Exper. Ref:  GRIFFIN,S ET AL. (1999)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  203.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  28.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0107  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.42  (Modified Grain method)
    MP  (exp database):  176 deg C
    BP  (exp database):  204 deg C
    VP  (exp database):  7.20E-02 mm Hg (9.60E+000 Pa) at 25 deg C
    Subcooled liquid VP: 2.24 mm Hg (25 deg C, exp database VP )
                       : 299 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  339.1
       log Kow used: 2.74 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1600 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & HE,Y (2003)
     Water Sol (Exper. database match) =  100 mg/L (25 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  706.1 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.00E-005  atm-m3/mole  (7.09E+000 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 8.10E-05  atm-m3/mole  (8.21E+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:  6.321E-006 atm-m3/mole  (6.405E-001 Pa-m3/mole)
      VP:   0.0107 mm Hg (source: MPBPVP)
      WS:   339 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.74  (exp database)
  Log Kaw used:  -2.480  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.220
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3140
   Biowin2 (Non-Linear Model)     :   0.0451
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4160  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2990  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5851
   Biowin6 (MITI Non-Linear Model):   0.5988
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7836
 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):  299 Pa (2.24 mm Hg)
  Log Koa (Koawin est  ): 5.220
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1E-008 
       Octanol/air (Koa) model:  4.07E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.63E-007 
       Mackay model           :  8.04E-007 
       Octanol/air (Koa) model:  3.26E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.8767 E-12 cm3/molecule-sec
      Half-Life =     1.083 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.995 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.83E-007 (Junge-Pankow, Mackay avg)
      3.26E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  117.1  L/kg (MCI method)
      Log Koc:  2.068       (MCI method)
      Koc    :  432.8  L/kg (Kow method)
      Log Koc:  2.636       (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 = 1.475 (BCF = 29.84 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1779 days (HL = 0.6639 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.682 (BCF = 48.05)
   Log BAF Arnot-Gobas method (upper trophic) = 1.682 (BAF = 48.05)
       log Kow used: 2.74 (expkow database)

 Volatilization from Water:
    Henry LC:  8.1E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      10.18  hours
    Half-Life from Model Lake :      214.5  hours   (8.937 days)

 Removal In Wastewater Treatment:
    Total removal:               7.85  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.79  percent
    Total to Air:                3.96  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.82            26           1000       
   Water     21.6            900          1000       
   Soil      76.4            1.8e+003     1000       
   Sediment  0.163           8.1e+003     0          
     Persistence Time: 744 hr