CAS Num: 071566-51-3
SMILES : O=C1CC(C=C(O1)C)(C)C
CHEM   : 2H-Pyran-2-one, tetrahydro-4,4,6(or 4,6,6)-trimethyl-
MOL FOR: C8 H12 O2 
MOL WT : 140.18
------------------------------ 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) =  1.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  241.44  (Adapted Stein & Brown method)
    Melting Pt (deg C):  14.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0429  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.72  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5449
       log Kow used: 1.39 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2346.7 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.22E-003  atm-m3/mole  (2.25E+002 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:  1.452E-006 atm-m3/mole  (1.471E-001 Pa-m3/mole)
      VP:   0.0429 mm Hg (source: MPBPVP)
      WS:   5.45E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.39  (KowWin est)
  Log Kaw used:  -1.042  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.432
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6711
   Biowin2 (Non-Linear Model)     :   0.9669
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8175  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7210  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7336
   Biowin6 (MITI Non-Linear Model):   0.8385
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2415
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.49 Pa (0.0412 mm Hg)
  Log Koa (Koawin est  ): 2.432
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.46E-007 
       Octanol/air (Koa) model:  6.64E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.97E-005 
       Mackay model           :  4.37E-005 
       Octanol/air (Koa) model:  5.31E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  87.7267 E-12 cm3/molecule-sec
      Half-Life =     0.122 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.463 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.17E-005 (Junge-Pankow, Mackay avg)
      5.31E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  44.26  L/kg (MCI method)
      Log Koc:  1.646       (MCI method)
      Koc    :  42.5  L/kg (Kow method)
      Log Koc:  1.628       (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 = 0.583 (BCF = 3.83 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5983 days (HL = 0.02522 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.315 (BCF = 2.065)
   Log BAF Arnot-Gobas method (upper trophic) = 0.315 (BAF = 2.065)
       log Kow used: 1.39 (estimated)

 Volatilization from Water:
    Henry LC:  0.00222 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.52  hours
    Half-Life from Model Lake :      115.9  hours   (4.828 days)

 Removal In Wastewater Treatment:
    Total removal:              47.96  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     1.12  percent
    Total to Air:               46.78  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.48            2.61         1000       
   Water     58.8            360          1000       
   Soil      38.5            720          1000       
   Sediment  0.215           3.24e+003    0          
     Persistence Time: 112 hr