CAS Number: 56423-45-1
SMILES : CC1=CCC(CC1(=O))C2(CO2)C
CHEM   : 
MOL FOR: C10 H14 O2 
MOL WT : 166.22
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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 v1.68 estimate) =  1.67
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  247.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  49.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0297  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.95  (Modified Grain method)
    Subcooled liquid VP: 0.0496 mm Hg (25 deg C, Mod-Grain method)
                       : 6.61 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2418
       log Kow used: 1.67 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2425 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Epoxides, mono
       Vinyl/Allyl Ketones
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.08E-007  atm-m3/mole  (1.09E-002 Pa-m3/mole)
   Group Method:   7.39E-009  atm-m3/mole  (7.48E-004 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:  2.686E-006 atm-m3/mole  (2.722E-001 Pa-m3/mole)
      VP:   0.0297 mm Hg (source: MPBPVP)
      WS:   2.42E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.67  (KowWin est)
  Log Kaw used:  -5.355  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.025
      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)    :   0.4831
   Biowin6 (MITI Non-Linear Model):   0.3775
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7005
 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):  6.61 Pa (0.0496 mm Hg)
  Log Koa (Koawin est  ): 7.025
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.54E-007 
       Octanol/air (Koa) model:  2.6E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.64E-005 
       Mackay model           :  3.63E-005 
       Octanol/air (Koa) model:  0.000208 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 113.8029 E-12 cm3/molecule-sec
      Half-Life =     0.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.128 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      2.63E-005 (Junge-Pankow, Mackay avg)
      0.000208 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  33.67  L/kg (MCI method)
      Log Koc:  1.527       (MCI method)
      Koc    :  89.91  L/kg (Kow method)
      Log Koc:  1.954       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  2.320E-001  L/mol-sec
  Ka Half-Life at pH 7:     345.750  days   
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.767 (BCF = 5.842 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0624 days (HL = 0.08661 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.642 (BCF = 4.382)
   Log BAF Arnot-Gobas method (upper trophic) = 0.642 (BAF = 4.382)
       log Kow used: 1.67 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.08E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       6991  hours   (291.3 days)
    Half-Life from Model Lake : 7.637E+004  hours   (3182 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.04  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.94  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0828          1.4          1000       
   Water     32.2            900          1000       
   Soil      67.6            1.8e+003     1000       
   Sediment  0.113           8.1e+003     0          
     Persistence Time: 802 hr