CAS Number: 5153-92-4
SMILES : CC1=CCC2C3(CCCC(C3CCC2(O1)C)(C)C)C
CHEM   : 3,4a,7,7,10a-pentamethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen
         e
MOL FOR: C18 H30 O1 
MOL WT : 262.44
------------------------------ 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) =  5.58
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  309.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  89.79  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000538  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0717  (Modified Grain method)
    Subcooled liquid VP: 0.00226 mm Hg (25 deg C, Mod-Grain method)
                       : 0.302 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.3461
       log Kow used: 5.58 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.68104 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ethers
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.80E-002  atm-m3/mole  (4.86E+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:  5.368E-004 atm-m3/mole  (5.439E+001 Pa-m3/mole)
      VP:   0.000538 mm Hg (source: MPBPVP)
      WS:   0.346 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.58  (KowWin est)
  Log Kaw used:  0.293  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.287
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2765
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9742  (months      )
   Biowin4 (Primary Survey Model) :   2.9990  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2872
   Biowin6 (MITI Non-Linear Model):   0.0645
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5364
 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):  0.301 Pa (0.00226 mm Hg)
  Log Koa (Koawin est  ): 5.287
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.96E-006 
       Octanol/air (Koa) model:  4.75E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000359 
       Mackay model           :  0.000796 
       Octanol/air (Koa) model:  3.8E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 138.7884 E-12 cm3/molecule-sec
      Half-Life =     0.077 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.925 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    36.968750 E-17 cm3/molecule-sec
      Half-Life =     0.031 Days (at 7E11 mol/cm3)
      Half-Life =     44.639 Min
   Fraction sorbed to airborne particulates (phi):
      0.000578 (Junge-Pankow, Mackay avg)
      3.8E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.018E+004  L/kg (MCI method)
      Log Koc:  4.305       (MCI method)
      Koc    :  8336  L/kg (Kow method)
      Log Koc:  3.921       (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 = 3.349 (BCF = 2232 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1611 days (HL = 14.49 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.631 (BCF = 4273)
   Log BAF Arnot-Gobas method (upper trophic) = 4.187 (BAF = 1.538e+004)
       log Kow used: 5.58 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.048 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.673  hours
    Half-Life from Model Lake :      154.1  hours   (6.42 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.49  percent
    Total biodegradation:        0.36  percent
    Total sludge adsorption:    66.65  percent
    Total to Air:               29.48  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0773          0.531        1000       
   Water     11.5            1.44e+003    1000       
   Soil      70.9            2.88e+003    1000       
   Sediment  17.5            1.3e+004     0          
     Persistence Time: 729 hr