CAS Number: 35178-55-3
SMILES : CC(=C1CCC2(C(C1(=O))O2)C)C
CHEM   : 1-methyl-4-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-5-one
MOL FOR: C10 H14 O2 
MOL WT : 166.22
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  3.22
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  240.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  43.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0463  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.17  (Modified Grain method)
    Subcooled liquid VP: 0.0682 mm Hg (25 deg C, Mod-Grain method)
                       : 9.09 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  113.3
       log Kow used: 3.22 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2479 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Epoxides, mono
       Vinyl/Allyl Ketones
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.03E-007  atm-m3/mole  (9.15E-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:  8.938E-005 atm-m3/mole  (9.056E+000 Pa-m3/mole)
      VP:   0.0463 mm Hg (source: MPBPVP)
      WS:   113 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.22  (KowWin est)
  Log Kaw used:  -4.433  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.653
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1440
   Biowin2 (Non-Linear Model)     :   0.0070
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5886  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4225  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4576
   Biowin6 (MITI Non-Linear Model):   0.3217
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5866
 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):  9.09 Pa (0.0682 mm Hg)
  Log Koa (Koawin est  ): 7.653
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.3E-007 
       Octanol/air (Koa) model:  1.1E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.19E-005 
       Mackay model           :  2.64E-005 
       Octanol/air (Koa) model:  0.000882 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 101.8168 E-12 cm3/molecule-sec
      Half-Life =     0.105 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.261 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    48.059372 E-17 cm3/molecule-sec
      Half-Life =     0.024 Days (at 7E11 mol/cm3)
      Half-Life =     34.337 Min
   Fraction sorbed to airborne particulates (phi):
      1.92E-005 (Junge-Pankow, Mackay avg)
      0.000882 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  30.86  L/kg (MCI method)
      Log Koc:  1.489       (MCI method)
      Koc    :  647.4  L/kg (Kow method)
      Log Koc:  2.811       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  1.251E-003  L/mol-sec
  Ka Half-Life at pH 7:     175.522  years  
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.793 (BCF = 62.14 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1135 days (HL = 1.299 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.126 (BCF = 133.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.126 (BAF = 133.6)
       log Kow used: 3.22 (estimated)
 
 Volatilization from Water:
    Henry LC:  9.03E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      837.2  hours   (34.89 days)
    Half-Life from Model Lake :       9242  hours   (385.1 days)
 
 Removal In Wastewater Treatment:
    Total removal:               8.11  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.92  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.032           0.467        1000       
   Water     33.9            900          1000       
   Soil      66              1.8e+003     1000       
   Sediment  0.114           8.1e+003     0          
     Persistence Time: 751 hr