CAS Num: 075640-26-5
SMILES : O=C1C(=C2CCC(C=C2O1)C)C
CHEM   : 2(4H)-Benzofuranone, 5,6-dihydro-3,6-dimethyl-, (R)-
MOL FOR: C10 H12 O2 
MOL WT : 164.21
------------------------------ 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) =  1.85

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  290.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  51.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00185  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.247  (Modified Grain method)
    Subcooled liquid VP: 0.00325 mm Hg (25 deg C, Mod-Grain method)
                       : 0.433 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1718
       log Kow used: 1.85 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  561.32 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.20E-004  atm-m3/mole  (9.32E+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:  2.327E-007 atm-m3/mole  (2.357E-002 Pa-m3/mole)
      VP:   0.00185 mm Hg (source: MPBPVP)
      WS:   1.72E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.85  (KowWin est)
  Log Kaw used:  -1.425  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.275
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8436
   Biowin2 (Non-Linear Model)     :   0.9915
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9765  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8398  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6263
   Biowin6 (MITI Non-Linear Model):   0.6553
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5747
 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):  0.433 Pa (0.00325 mm Hg)
  Log Koa (Koawin est  ): 3.275
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.92E-006 
       Octanol/air (Koa) model:  4.62E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00025 
       Mackay model           :  0.000554 
       Octanol/air (Koa) model:  3.7E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 105.0014 E-12 cm3/molecule-sec
      Half-Life =     0.102 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.222 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   222.446243 E-17 cm3/molecule-sec
      Half-Life =     0.005 Days (at 7E11 mol/cm3)
      Half-Life =      7.419 Min
   Fraction sorbed to airborne particulates (phi):
      0.000402 (Junge-Pankow, Mackay avg)
      3.7E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  183.9  L/kg (MCI method)
      Log Koc:  2.265       (MCI method)
      Koc    :  76.35  L/kg (Kow method)
      Log Koc:  1.883       (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 = 0.888 (BCF = 7.735 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7079 days (HL = 0.1959 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.853 (BCF = 7.127)
   Log BAF Arnot-Gobas method (upper trophic) = 0.853 (BAF = 7.127)
       log Kow used: 1.85 (estimated)

 Volatilization from Water:
    Henry LC:  0.00092 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.123  hours
    Half-Life from Model Lake :      130.6  hours   (5.442 days)

 Removal In Wastewater Treatment:
    Total removal:              29.36  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.58  percent
    Total to Air:               27.71  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0413          0.118        1000       
   Water     27.6            360          1000       
   Soil      72.1            720          1000       
   Sediment  0.247           3.24e+003    0          
     Persistence Time: 254 hr