CAS Number: 89-88-3
SMILES : OC(C=C(C(C(C1C)CC2=C(C)C)C2)C)C1
CHEM   : 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethyl
         idene)-
MOL FOR: C15 H24 O1 
MOL WT : 220.36
------------------------------ 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) =  4.78
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  313.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  69.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.13E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00284  (Modified Grain method)
    Subcooled liquid VP: 5.58E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00744 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.203
       log Kow used: 4.78 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  22.055 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.52E-005  atm-m3/mole  (3.56E+000 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:  6.711E-007 atm-m3/mole  (6.800E-002 Pa-m3/mole)
      VP:   2.13E-005 mm Hg (source: MPBPVP)
      WS:   9.2 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.78  (KowWin est)
  Log Kaw used:  -2.842  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.622
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8014
   Biowin2 (Non-Linear Model)     :   0.7306
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8722  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6593  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3345
   Biowin6 (MITI Non-Linear Model):   0.0735
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3748
 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):  0.00744 Pa (5.58E-005 mm Hg)
  Log Koa (Koawin est  ): 7.622
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000403 
       Octanol/air (Koa) model:  1.03E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0144 
       Mackay model           :  0.0313 
       Octanol/air (Koa) model:  0.000822 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 215.9744 E-12 cm3/molecule-sec
      Half-Life =     0.050 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.594 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   163.000000 E-17 cm3/molecule-sec
      Half-Life =     0.007 Days (at 7E11 mol/cm3)
      Half-Life =     10.124 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0228 (Junge-Pankow, Mackay avg)
      0.000822 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1529  L/kg (MCI method)
      Log Koc:  3.184       (MCI method)
      Koc    :  1438  L/kg (Kow method)
      Log Koc:  3.158       (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 = 2.820 (BCF = 660.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.3711 days (HL = 23.5 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.538 (BCF = 3453)
   Log BAF Arnot-Gobas method (upper trophic) = 3.801 (BAF = 6326)
       log Kow used: 4.78 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.52E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      26.21  hours   (1.092 days)
    Half-Life from Model Lake :      410.4  hours   (17.1 days)
 
 Removal In Wastewater Treatment:
    Total removal:              69.79  percent
    Total biodegradation:        0.62  percent
    Total sludge adsorption:    68.67  percent
    Total to Air:                0.50  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0173          0.148        1000       
   Water     22.9            360          1000       
   Soil      75.9            720          1000       
   Sediment  1.17            3.24e+003    0          
     Persistence Time: 451 hr