CAS Num: 000513-20-2
SMILES : O=C(C(C1(C2)C(C)C)C1)C2
CHEM   : Bicyclo 3.1.0 hexan-2-one, 5-(1-methylethyl)-
MOL FOR: C9 H14 O1 
MOL WT : 138.21
------------------------------ 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) =  2.23

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  186.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  13.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.99  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  132  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1064
       log Kow used: 2.23 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1503.1 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.27E-005  atm-m3/mole  (5.34E+000 Pa-m3/mole)
   Group Method:   9.30E-006  atm-m3/mole  (9.42E-001 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:  1.692E-004 atm-m3/mole  (1.714E+001 Pa-m3/mole)
      VP:   0.99 mm Hg (source: MPBPVP)
      WS:   1.06E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.23  (KowWin est)
  Log Kaw used:  -2.667  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.897
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5046
   Biowin2 (Non-Linear Model)     :   0.2441
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6591  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4727  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5081
   Biowin6 (MITI Non-Linear Model):   0.5713
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5356
 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):  121 Pa (0.905 mm Hg)
  Log Koa (Koawin est  ): 4.897
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.49E-008 
       Octanol/air (Koa) model:  1.94E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.98E-007 
       Mackay model           :  1.99E-006 
       Octanol/air (Koa) model:  1.55E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.2574 E-12 cm3/molecule-sec
      Half-Life =     1.709 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.512 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.44E-006 (Junge-Pankow, Mackay avg)
      1.55E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  80.05  L/kg (MCI method)
      Log Koc:  1.903       (MCI method)
      Koc    :  226  L/kg (Kow method)
      Log Koc:  2.354       (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 = 1.137 (BCF = 13.72 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4370 days (HL = 0.3656 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.209 (BCF = 16.18)
   Log BAF Arnot-Gobas method (upper trophic) = 1.209 (BAF = 16.18)
       log Kow used: 2.23 (estimated)

 Volatilization from Water:
    Henry LC:  9.3E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      75.21  hours   (3.134 days)
    Half-Life from Model Lake :      919.1  hours   (38.29 days)

 Removal In Wastewater Treatment:
    Total removal:               3.03  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.41  percent
    Total to Air:                0.52  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.78            50.3         1000       
   Water     25.5            900          1000       
   Soil      72.6            1.8e+003     1000       
   Sediment  0.147           8.1e+003     0          
     Persistence Time: 867 hr