CAS Number: 6704-50-3
SMILES : CC(C)C1=CC2=CCC3C(CCCC3(C2CC1)C)(C)C=O
CHEM   : (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-oct
         ahydrophenanthrene-1-carbaldehyde
MOL FOR: C20 H30 O1 
MOL WT : 286.46
------------------------------ 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) =  6.21
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  353.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  113.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.46E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00195  (Modified Grain method)
    Subcooled liquid VP: 0.000109 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0145 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.07345
       log Kow used: 6.21 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.2207 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.37E-004  atm-m3/mole  (8.49E+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:  7.492E-005 atm-m3/mole  (7.592E+000 Pa-m3/mole)
      VP:   1.46E-005 mm Hg (source: MPBPVP)
      WS:   0.0735 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.21  (KowWin est)
  Log Kaw used:  -1.466  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.676
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5279
   Biowin2 (Non-Linear Model)     :   0.9355
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1642  (months      )
   Biowin4 (Primary Survey Model) :   3.3242  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5131
   Biowin6 (MITI Non-Linear Model):   0.2675
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9822
 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):  0.0145 Pa (0.000109 mm Hg)
  Log Koa (Koawin est  ): 7.676
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000206 
       Octanol/air (Koa) model:  1.16E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0074 
       Mackay model           :  0.0162 
       Octanol/air (Koa) model:  0.00093 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 309.1310 E-12 cm3/molecule-sec
      Half-Life =     0.035 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    24.912 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =  1000.000000 E-17 cm3/molecule-sec
      Half-Life =     0.001 Days (at 7E11 mol/cm3)
      Half-Life =      1.650 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0118 (Junge-Pankow, Mackay avg)
      0.00093 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.44E+004  L/kg (MCI method)
      Log Koc:  4.158       (MCI method)
      Koc    :  1.351E+004  L/kg (Kow method)
      Log Koc:  4.131       (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 = 3.763 (BCF = 5795 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.5232 days (HL = 33.36 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.847 (BCF = 7028)
   Log BAF Arnot-Gobas method (upper trophic) = 5.383 (BAF = 2.418e+005)
       log Kow used: 6.21 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000837 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.911  hours
    Half-Life from Model Lake :      173.7  hours   (7.236 days)
 
 Removal In Wastewater Treatment:
    Total removal:              92.94  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.75  percent
    Total to Air:                0.43  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00132         0.0266       1000       
   Water     6.6             1.44e+003    1000       
   Soil      86.7            2.88e+003    1000       
   Sediment  6.73            1.3e+004     0          
     Persistence Time: 1.53e+003 hr