CAS Number: 27210-57-7
SMILES : CC(C)C1=Cc2c(c3c(cc2)C(CCC3)(C)C)C(=O)C1(=O)
CHEM   : 8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione
MOL FOR: C19 H22 O2 
MOL WT : 282.39
------------------------------ 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) =  6.40
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  399.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  153.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.19E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.59E-005  (Modified Grain method)
    Subcooled liquid VP: 8.48E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00113 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.05297
       log Kow used: 6.40 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.068086 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.93E-008  atm-m3/mole  (1.95E-003 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:  2.939E-006 atm-m3/mole  (2.978E-001 Pa-m3/mole)
      VP:   4.19E-007 mm Hg (source: MPBPVP)
      WS:   0.053 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.40  (KowWin est)
  Log Kaw used:  -6.103  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.503
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4838
   Biowin2 (Non-Linear Model)     :   0.1046
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2882  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2184  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1030
   Biowin6 (MITI Non-Linear Model):   0.0096
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6085
 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):  0.00113 Pa (8.48E-006 mm Hg)
  Log Koa (Koawin est  ): 12.503
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00265 
       Octanol/air (Koa) model:  0.782 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0875 
       Mackay model           :  0.175 
       Octanol/air (Koa) model:  0.984 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  41.9805 E-12 cm3/molecule-sec
      Half-Life =     0.255 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.057 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec
      Half-Life =     0.084 Days (at 7E11 mol/cm3)
      Half-Life =      2.015 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.131 (Junge-Pankow, Mackay avg)
      0.984 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  325.7  L/kg (MCI method)
      Log Koc:  2.513       (MCI method)
      Koc    :  1.015E+004  L/kg (Kow method)
      Log Koc:  4.007       (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 = 3.891 (BCF = 7778 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.9325 days (HL = 8.561 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.326 (BCF = 2121)
   Log BAF Arnot-Gobas method (upper trophic) = 4.228 (BAF = 1.692e+004)
       log Kow used: 6.40 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.93E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.098E+004  hours   (2124 days)
    Half-Life from Model Lake : 5.563E+005  hours   (2.318E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.28  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.51  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0493          1.52         1000       
   Water     18              900          1000       
   Soil      81.6            1.8e+003     1000       
   Sediment  0.293           8.1e+003     0          
     Persistence Time: 1.16e+003 hr