CAS Num: 019870-74-7
SMILES : O(C(C(CC(C1CC2)(C2C)C3)C1(C)C)(C3)C)C
CHEM   : 1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, [3R
         -(3a,3a ,6 ,7 ,8aa)]-
MOL FOR: C16 H28 O1 
MOL WT : 236.40
------------------------------ 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) =  5.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  265.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  62.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0201  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.68  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  <25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.436
       log Kow used: 5.03 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.086 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.90E-003  atm-m3/mole  (3.95E+002 Pa-m3/mole)
   Group Method:   2.45E-004  atm-m3/mole  (2.48E+001 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  4.354E-003 atm-m3/mole  (4.412E+002 Pa-m3/mole)
      VP:   0.0201 mm Hg (source: MPBPVP)
      WS:   1.44 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.03  (KowWin est)
  Log Kaw used:  -0.797  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.827
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2641
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0317  (months      )
   Biowin4 (Primary Survey Model) :   3.0366  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3512
   Biowin6 (MITI Non-Linear Model):   0.0897
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.3034
 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):  2.71 Pa (0.0203 mm Hg)
  Log Koa (Koawin est  ): 5.827
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.11E-006 
       Octanol/air (Koa) model:  1.65E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4E-005 
       Mackay model           :  8.87E-005 
       Octanol/air (Koa) model:  1.32E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.8860 E-12 cm3/molecule-sec
      Half-Life =     0.538 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.454 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.43E-005 (Junge-Pankow, Mackay avg)
      1.32E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6748  L/kg (MCI method)
      Log Koc:  3.829       (MCI method)
      Koc    :  4138  L/kg (Kow method)
      Log Koc:  3.617       (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 = 2.983 (BCF = 960.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8749 days (HL = 7.497 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.356 (BCF = 2270)
   Log BAF Arnot-Gobas method (upper trophic) = 3.452 (BAF = 2833)
       log Kow used: 5.03 (estimated)

 Volatilization from Water:
    Henry LC:  0.000245 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      5.243  hours
    Half-Life from Model Lake :      186.1  hours   (7.755 days)

 Removal In Wastewater Treatment:
    Total removal:              79.37  percent
    Total biodegradation:        0.66  percent
    Total sludge adsorption:    76.87  percent
    Total to Air:                1.84  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.503           12.9         1000       
   Water     8               1.44e+003    1000       
   Soil      87.5            2.88e+003    1000       
   Sediment  4.03            1.3e+004     0          
     Persistence Time: 1.53e+003 hr