CAS Number: 3466-16-8
SMILES : CC1CC(=O)C2C1CC3(CCC2(O3)C)C(C)C
CHEM   : 
MOL FOR: C15 H24 O2 
MOL WT : 236.36
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  2.86
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  300.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  84.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000929  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.124  (Modified Grain method)
    Subcooled liquid VP: 0.00344 mm Hg (25 deg C, Mod-Grain method)
                       : 0.459 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  100.7
       log Kow used: 2.86 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  119.35 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.41E-007  atm-m3/mole  (1.43E-002 Pa-m3/mole)
   Group Method:   1.25E-008  atm-m3/mole  (1.27E-003 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:  2.869E-006 atm-m3/mole  (2.907E-001 Pa-m3/mole)
      VP:   0.000929 mm Hg (source: MPBPVP)
      WS:   101 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.86  (KowWin est)
  Log Kaw used:  -5.239  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.099
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0734
   Biowin2 (Non-Linear Model)     :   0.0005
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2215  (months      )
   Biowin4 (Primary Survey Model) :   3.1679  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3306
   Biowin6 (MITI Non-Linear Model):   0.0964
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.3274
 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):  0.459 Pa (0.00344 mm Hg)
  Log Koa (Koawin est  ): 8.099
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.54E-006 
       Octanol/air (Koa) model:  3.08E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000236 
       Mackay model           :  0.000523 
       Octanol/air (Koa) model:  0.00246 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  34.7775 E-12 cm3/molecule-sec
      Half-Life =     0.308 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.691 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00038 (Junge-Pankow, Mackay avg)
      0.00246 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  508.9  L/kg (MCI method)
      Log Koc:  2.707       (MCI method)
      Koc    :  409.3  L/kg (Kow method)
      Log Koc:  2.612       (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 = 1.557 (BCF = 36.03 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2034 days (HL = 0.626 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.775 (BCF = 59.5)
   Log BAF Arnot-Gobas method (upper trophic) = 1.775 (BAF = 59.5)
       log Kow used: 2.86 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.41E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       6385  hours   (266.1 days)
    Half-Life from Model Lake : 6.979E+004  hours   (2908 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.67  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.55  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.162           7.38         1000       
   Water     14.6            1.44e+003    1000       
   Soil      84.8            2.88e+003    1000       
   Sediment  0.458           1.3e+004     0          
     Persistence Time: 1.7e+003 hr