CAS Number: 80623-07-0
SMILES : C1CC2(C(=O)OCC)C(C3)CC(C3)C2C1
CHEM   : 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethylester, (3
         aa,4B,7B,7aa)-
MOL FOR: C13 H20 O2 
MOL WT : 208.30
------------------------------ EPI SUMMARY (v4.00) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.59
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  261.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  57.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00749  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.999  (Modified Grain method)
    Subcooled liquid VP: 0.0149 mm Hg (25 deg C, Mod-Grain method)
                       : 1.98 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  34.14
       log Kow used: 3.59 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13.723 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.56E-004  atm-m3/mole  (2.59E+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:  6.013E-005 atm-m3/mole  (6.093E+000 Pa-m3/mole)
      VP:   0.00749 mm Hg (source: MPBPVP)
      WS:   34.1 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.59  (KowWin est)
  Log Kaw used:  -1.980  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.570
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6386
   Biowin2 (Non-Linear Model)     :   0.9174
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6669  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6227  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7093
   Biowin6 (MITI Non-Linear Model):   0.6978
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0184
 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):  1.99 Pa (0.0149 mm Hg)
  Log Koa (Koawin est  ): 5.570
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.51E-006 
       Octanol/air (Koa) model:  9.12E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.45E-005 
       Mackay model           :  0.000121 
       Octanol/air (Koa) model:  7.3E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.1983 E-12 cm3/molecule-sec
      Half-Life =     0.955 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.462 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      8.77E-005 (Junge-Pankow, Mackay avg)
      7.3E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1263  L/kg (MCI method)
      Log Koc:  3.101       (MCI method)
      Koc    :  700.2  L/kg (Kow method)
      Log Koc:  2.845       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.070E-002  L/mol-sec
  Kb Half-Life at pH 8:     158.228  days   
  Kb Half-Life at pH 7:       4.332  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.035 (BCF = 108.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4949 days (HL = 0.32 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.007 (BCF = 101.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.007 (BAF = 101.5)
       log Kow used: 3.59 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000256 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.774  hours
    Half-Life from Model Lake :      173.1  hours   (7.212 days)
 
 Removal In Wastewater Treatment:
    Total removal:              23.74  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    14.32  percent
    Total to Air:                9.24  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.37            22.9         1000       
   Water     12.3            900          1000       
   Soil      85.4            1.8e+003     1000       
   Sediment  0.87            8.1e+003     0          
     Persistence Time: 911 hr