CAS Number: 26465-81-6
SMILES : c(ccc1C2(C)C)cc1C(=O)C2
CHEM   : 1H-INDEN-1-ONE, 2,3-DIHYDRO-3,3-DIMETHYL-
MOL FOR: C11 H12 O1 
MOL WT : 160.22
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  2.98
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  255.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  53.63  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0108  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.44  (Modified Grain method)
    Subcooled liquid VP: 0.0198 mm Hg (25 deg C, Mod-Grain method)
                       : 2.64 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  194.9
       log Kow used: 2.98 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  302.14 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.41E-006  atm-m3/mole  (8.52E-001 Pa-m3/mole)
   Group Method:   1.94E-006  atm-m3/mole  (1.97E-001 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:  1.168E-005 atm-m3/mole  (1.184E+000 Pa-m3/mole)
      VP:   0.0108 mm Hg (source: MPBPVP)
      WS:   195 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.98  (KowWin est)
  Log Kaw used:  -3.464  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.444
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4942
   Biowin2 (Non-Linear Model)     :   0.1911
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6105  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4409  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4743
   Biowin6 (MITI Non-Linear Model):   0.4722
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5509
 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):  2.64 Pa (0.0198 mm Hg)
  Log Koa (Koawin est  ): 6.444
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.14E-006 
       Octanol/air (Koa) model:  6.82E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.1E-005 
       Mackay model           :  9.09E-005 
       Octanol/air (Koa) model:  5.46E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.8020 E-12 cm3/molecule-sec
      Half-Life =     2.227 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.729 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.6E-005 (Junge-Pankow, Mackay avg)
      5.46E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  248.8  L/kg (MCI method)
      Log Koc:  2.396       (MCI method)
      Koc    :  587.5  L/kg (Kow method)
      Log Koc:  2.769       (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 v3.01):
   Log BCF from regression-based method = 1.048 (BCF = 11.16 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2111 days (HL = 1.626 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.947 (BCF = 88.47)
   Log BAF Arnot-Gobas method (upper trophic) = 1.947 (BAF = 88.48)
       log Kow used: 2.98 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.94E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      383.3  hours   (15.97 days)
    Half-Life from Model Lake :       4288  hours   (178.6 days)
 
 Removal In Wastewater Treatment:
    Total removal:               5.63  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.40  percent
    Total to Air:                0.11  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.34            53.4         1000       
   Water     20.2            900          1000       
   Soil      78.2            1.8e+003     1000       
   Sediment  0.288           8.1e+003     0          
     Persistence Time: 1.03e+003 hr