CAS Number: 59742-39-1
SMILES : CC1CC(C2=CC(=CCC12C)C)C(C)C
CHEM   : 3,3a,6-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroindene
MOL FOR: C15 H24 
MOL WT : 204.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  6.15
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  248.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  36.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0368  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.91  (Modified Grain method)
    Subcooled liquid VP: 0.047 mm Hg (25 deg C, Mod-Grain method)
                       : 6.26 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.06758
       log Kow used: 6.15 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.46802 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.64E-001  atm-m3/mole  (6.73E+004 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:  1.464E-001 atm-m3/mole  (1.484E+004 Pa-m3/mole)
      VP:   0.0368 mm Hg (source: MPBPVP)
      WS:   0.0676 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.15  (KowWin est)
  Log Kaw used:  1.434  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.716
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4663
   Biowin2 (Non-Linear Model)     :   0.1657
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5354  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3995  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1999
   Biowin6 (MITI Non-Linear Model):   0.0626
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3700
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.7712
     BioHC Half-Life (days)     :  59.0523
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.27 Pa (0.047 mm Hg)
  Log Koa (Koawin est  ): 4.716
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.79E-007 
       Octanol/air (Koa) model:  1.28E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.73E-005 
       Mackay model           :  3.83E-005 
       Octanol/air (Koa) model:  1.02E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 269.0013 E-12 cm3/molecule-sec
      Half-Life =     0.040 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    28.629 Min
   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):
      2.78E-005 (Junge-Pankow, Mackay avg)
      1.02E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.667E+004  L/kg (MCI method)
      Log Koc:  4.222       (MCI method)
      Koc    :  2.174E+005  L/kg (Kow method)
      Log Koc:  5.337       (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 = 3.725 (BCF = 5304 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.6279 days (HL = 42.45 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.923 (BCF = 8377)
   Log BAF Arnot-Gobas method (upper trophic) = 5.519 (BAF = 3.302e+005)
       log Kow used: 6.15 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.664 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.46  hours
    Half-Life from Model Lake :      135.8  hours   (5.658 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.23  percent
    Total biodegradation:        0.24  percent
    Total sludge adsorption:    62.35  percent
    Total to Air:               36.64  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0655          0.109        1000       
   Water     40.2            900          1000       
   Soil      23.6            1.8e+003     1000       
   Sediment  36.2            8.1e+003     0          
     Persistence Time: 200 hr