CAS Num: 021280-29-5
SMILES : O=C(OC(C(C(CC1)(C)C)C2)(CC3)C1)C23C
CHEM   : 3,8a-Ethano-8aH-1-benzopyran-2(3H)-one, hexahydro-3,5,5-trimethyl-
MOL FOR: C14 H22 O2 
MOL WT : 222.33
------------------------------ 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) =  3.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  319.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  93.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000154  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0205  (Modified Grain method)
    Subcooled liquid VP: 0.000703 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0937 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  51.92
       log Kow used: 3.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.1741 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.39E-004  atm-m3/mole  (3.44E+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:  8.677E-007 atm-m3/mole  (8.792E-002 Pa-m3/mole)
      VP:   0.000154 mm Hg (source: MPBPVP)
      WS:   51.9 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.29  (KowWin est)
  Log Kaw used:  -1.858  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.148
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2641
   Biowin2 (Non-Linear Model)     :   0.2247
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2117  (months      )
   Biowin4 (Primary Survey Model) :   3.2956  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7293
   Biowin6 (MITI Non-Linear Model):   0.7500
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9141
 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):  0.0937 Pa (0.000703 mm Hg)
  Log Koa (Koawin est  ): 5.148
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.2E-005 
       Octanol/air (Koa) model:  3.45E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00115 
       Mackay model           :  0.00255 
       Octanol/air (Koa) model:  2.76E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.5902 E-12 cm3/molecule-sec
      Half-Life =     0.850 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.195 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00185 (Junge-Pankow, Mackay avg)
      2.76E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1415  L/kg (MCI method)
      Log Koc:  3.151       (MCI method)
      Koc    :  477.9  L/kg (Kow method)
      Log Koc:  2.679       (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 = 1.837 (BCF = 68.75 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7790 days (HL = 0.1663 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.715 (BCF = 51.89)
   Log BAF Arnot-Gobas method (upper trophic) = 1.715 (BAF = 51.89)
       log Kow used: 3.29 (estimated)

 Volatilization from Water:
    Henry LC:  0.000339 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.097  hours
    Half-Life from Model Lake :      169.7  hours   (7.072 days)

 Removal In Wastewater Treatment:
    Total removal:              20.86  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     8.32  percent
    Total to Air:               12.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.963           20.4         1000       
   Water     9.07            1.44e+003    1000       
   Soil      89.1            2.88e+003    1000       
   Sediment  0.859           1.3e+004     0          
     Persistence Time: 1.29e+003 hr