CAS Number: 28305-60-4
SMILES : CC(=O)C1CCC2C(=C)CCC(C(C)C)C12
CHEM   : 1-[(1S,3aR,7S,7aS)-4-methylidene-7-(propan-2-yl)octahydro-1H-inden-1-
         yl]ethanone
MOL FOR: C15 H24 O1 
MOL WT : 220.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.30
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  279.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  50.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00595  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.794  (Modified Grain method)
    Subcooled liquid VP: 0.0102 mm Hg (25 deg C, Mod-Grain method)
                       : 1.35 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.268
       log Kow used: 4.30 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.5123 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.54E-004  atm-m3/mole  (2.57E+001 Pa-m3/mole)
   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:  2.374E-004 atm-m3/mole  (2.405E+001 Pa-m3/mole)
      VP:   0.00595 mm Hg (source: MPBPVP)
      WS:   7.27 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.30  (KowWin est)
  Log Kaw used:  -1.984  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.284
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6495
   Biowin2 (Non-Linear Model)     :   0.3605
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6897  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5076  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2659
   Biowin6 (MITI Non-Linear Model):   0.0719
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4297
 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):  1.36 Pa (0.0102 mm Hg)
  Log Koa (Koawin est  ): 6.284
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.21E-006 
       Octanol/air (Koa) model:  4.72E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.97E-005 
       Mackay model           :  0.000176 
       Octanol/air (Koa) model:  3.78E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  74.7796 E-12 cm3/molecule-sec
      Half-Life =     0.143 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.716 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000128 (Junge-Pankow, Mackay avg)
      3.78E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2459  L/kg (MCI method)
      Log Koc:  3.391       (MCI method)
      Koc    :  3156  L/kg (Kow method)
      Log Koc:  3.499       (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 = 2.505 (BCF = 320 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8647 days (HL = 7.323 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.086 (BCF = 1218)
   Log BAF Arnot-Gobas method (upper trophic) = 3.105 (BAF = 1273)
       log Kow used: 4.30 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000254 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.937  hours
    Half-Life from Model Lake :      178.3  hours   (7.43 days)
 
 Removal In Wastewater Treatment:
    Total removal:              49.52  percent
    Total biodegradation:        0.41  percent
    Total sludge adsorption:    43.32  percent
    Total to Air:                5.79  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.213           2.99         1000       
   Water     11.7            900          1000       
   Soil      86.5            1.8e+003     1000       
   Sediment  1.63            8.1e+003     0          
     Persistence Time: 946 hr