CAS Number: 1686-61-9
SMILES : CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C)C)C=C
CHEM   : (4aS,4bS,7S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-
         octahydro-2H-phenanthrene
MOL FOR: C20 H32 
MOL WT : 272.48
------------------------------ 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) =  7.68
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  318.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  92.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000319  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0425  (Modified Grain method)
    Subcooled liquid VP: 0.00143 mm Hg (25 deg C, Mod-Grain method)
                       : 0.19 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.001413
       log Kow used: 7.68 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0052703 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.06E+000  atm-m3/mole  (1.08E+005 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:  8.094E-002 atm-m3/mole  (8.201E+003 Pa-m3/mole)
      VP:   0.000319 mm Hg (source: MPBPVP)
      WS:   0.00141 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.68  (KowWin est)
  Log Kaw used:  1.637  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.043
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0660
   Biowin2 (Non-Linear Model)     :   0.0024
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9607  (months      )
   Biowin4 (Primary Survey Model) :   2.9943  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2937
   Biowin6 (MITI Non-Linear Model):   0.0721
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5402
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   4.7272
     BioHC Half-Life (days)     : 53357.1055
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.191 Pa (0.00143 mm Hg)
  Log Koa (Koawin est  ): 6.043
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.57E-005 
       Octanol/air (Koa) model:  2.71E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000568 
       Mackay model           :  0.00126 
       Octanol/air (Koa) model:  2.17E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 130.0413 E-12 cm3/molecule-sec
      Half-Life =     0.082 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.987 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.568750 E-17 cm3/molecule-sec
      Half-Life =     0.151 Days (at 7E11 mol/cm3)
      Half-Life =      3.634 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000913 (Junge-Pankow, Mackay avg)
      2.17E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.829E+005  L/kg (MCI method)
      Log Koc:  5.452       (MCI method)
      Koc    :  4.625E+006  L/kg (Kow method)
      Log Koc:  6.665       (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 = 3.790 (BCF = 6161 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.9525 days (HL = 89.63 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.310 (BCF = 2040)
   Log BAF Arnot-Gobas method (upper trophic) = 6.383 (BAF = 2.413e+006)
       log Kow used: 7.68 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.06 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.685  hours
    Half-Life from Model Lake :      156.8  hours   (6.533 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.74  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    83.50  percent
    Total to Air:               11.64  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0934          1.28         1000       
   Water     10.1            1.44e+003    1000       
   Soil      29.7            2.88e+003    1000       
   Sediment  60.1            1.3e+004     0          
     Persistence Time: 1.28e+003 hr