CAS Num: 000127-25-3
SMILES : O=C(OC)C(C(C(C(C(=C1)C=C(C2)C(C)C)C2)(CC3)C)C1)(C3)C
CHEM   : 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4
         a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(
MOL FOR: C21 H32 O2 
MOL WT : 316.49
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.75

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  361.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  119.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.65E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00887  (Modified Grain method)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  362.5 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.017
       log Kow used: 6.75 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.034299 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.16E-003  atm-m3/mole  (2.19E+002 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:  1.629E-003 atm-m3/mole  (1.651E+002 Pa-m3/mole)
      VP:   6.65E-005 mm Hg (source: MPBPVP)
      WS:   0.017 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.75  (KowWin est)
  Log Kaw used:  -1.054  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.804
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4032
   Biowin2 (Non-Linear Model)     :   0.2989
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2157  (months      )
   Biowin4 (Primary Survey Model) :   3.3132  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3566
   Biowin6 (MITI Non-Linear Model):   0.1041
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0125
 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):  0.00887 Pa (6.65E-005 mm Hg)
  Log Koa (Koawin est  ): 7.804
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000338 
       Octanol/air (Koa) model:  1.56E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0121 
       Mackay model           :  0.0264 
       Octanol/air (Koa) model:  0.00125 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 277.3217 E-12 cm3/molecule-sec
      Half-Life =     0.039 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.770 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):
      0.0192 (Junge-Pankow, Mackay avg)
      0.00125 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8.833E+004  L/kg (MCI method)
      Log Koc:  4.946       (MCI method)
      Koc    :  3.919E+004  L/kg (Kow method)
      Log Koc:  4.593       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.212E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.813  years  
  Kb Half-Life at pH 7:      18.126  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 4.119 (BCF = 1.314e+004 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8500 days (HL = 7.079 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.102 (BCF = 1265)
   Log BAF Arnot-Gobas method (upper trophic) = 4.159 (BAF = 1.442e+004)
       log Kow used: 6.75 (estimated)

 Volatilization from Water:
    Henry LC:  0.00216 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.298  hours
    Half-Life from Model Lake :      174.2  hours   (7.26 days)

 Removal In Wastewater Treatment:
    Total removal:              93.74  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.67  percent
    Total to Air:                0.30  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.000979        0.0267       1000       
   Water     5               1.44e+003    1000       
   Soil      70.1            2.88e+003    1000       
   Sediment  24.9            1.3e+004     0          
     Persistence Time: 1.94e+003 hr