CAS Number: 
SMILES : CC=1CCC23C=1C(=O)C(CCC2C)C3(C)C
CHEM   : 
MOL FOR: C15 H22 O1 
MOL WT : 218.34
------------------------------ 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) =  5.70
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  292.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  81.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00154  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.205  (Modified Grain method)
    Subcooled liquid VP: 0.00535 mm Hg (25 deg C, Mod-Grain method)
                       : 0.713 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.4718
       log Kow used: 5.70 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.52672 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   Incomplete
   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:  9.377E-004 atm-m3/mole  (9.502E+001 Pa-m3/mole)
      VP:   0.00154 mm Hg (source: MPBPVP)
      WS:   0.472 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2826
   Biowin2 (Non-Linear Model)     :   0.0181
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2699  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2036  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4210
   Biowin6 (MITI Non-Linear Model):   0.2008
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9437
 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):  0.713 Pa (0.00535 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.21E-006 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000152 
       Mackay model           :  0.000336 
       Octanol/air (Koa) model:  not available
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.6977 E-12 cm3/molecule-sec
      Half-Life =     0.914 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.972 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000244 (Junge-Pankow, Mackay avg)
      not available (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  764.3  L/kg (MCI method)
      Log Koc:  2.883       (MCI method)
      Koc    :  1.877E+004  L/kg (Kow method)
      Log Koc:  4.274       (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 = 3.431 (BCF = 2697 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.9177 days (HL = 8.274 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.435 (BCF = 2722)
   Log BAF Arnot-Gobas method (upper trophic) = 3.813 (BAF = 6504)
       log Kow used: 5.70 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000938 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:       2.43  hours
    Half-Life from Model Lake :      150.4  hours   (6.267 days)
 
 Removal In Wastewater Treatment:
    Total removal:              90.66  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    88.46  percent
    Total to Air:                1.46  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.27            21.9         1000       
   Water     14              900          1000       
   Soil      83.2            1.8e+003     1000       
   Sediment  0.575           8.1e+003     0          
     Persistence Time: 662 hr