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CAS Number: 10486-25-6
SMILES : O=COC(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)-, formate
MOL FOR: C16 H24 O2 
MOL WT : 248.37
------------------------------ EPI SUMMARY (v4.11) --------------------------
    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 v1.68 estimate) =  5.24
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  312.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  73.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000343  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0457  (Modified Grain method)
    Subcooled liquid VP: 0.000992 mm Hg (25 deg C, Mod-Grain method)
                       : 0.132 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.8142
       log Kow used: 5.24 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.3441 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.14E-003  atm-m3/mole  (3.18E+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:  1.377E-004 atm-m3/mole  (1.395E+001 Pa-m3/mole)
      VP:   0.000343 mm Hg (source: MPBPVP)
      WS:   0.814 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.24  (KowWin est)
  Log Kaw used:  -0.892  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.132
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8035
   Biowin2 (Non-Linear Model)     :   0.9724
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7905  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7184  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4338
   Biowin6 (MITI Non-Linear Model):   0.1301
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4139
 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):  0.132 Pa (0.000992 mm Hg)
  Log Koa (Koawin est  ): 6.132
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.27E-005 
       Octanol/air (Koa) model:  3.33E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000819 
       Mackay model           :  0.00181 
       Octanol/air (Koa) model:  2.66E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 211.3006 E-12 cm3/molecule-sec
      Half-Life =     0.051 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.607 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):
      0.00131 (Junge-Pankow, Mackay avg)
      2.66E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5578  L/kg (MCI method)
      Log Koc:  3.746       (MCI method)
      Koc    :  5727  L/kg (Kow method)
      Log Koc:  3.758       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.765E+000  L/mol-sec
  Kb Half-Life at pH 8:       2.131  days   
  Kb Half-Life at pH 7:      21.305  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 3.122 (BCF = 1325 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7411 days (HL = 5.509 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.278 (BCF = 1895)
   Log BAF Arnot-Gobas method (upper trophic) = 3.369 (BAF = 2338)
       log Kow used: 5.24 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00314 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.902  hours
    Half-Life from Model Lake :      152.9  hours   (6.371 days)
 
 Removal In Wastewater Treatment:
    Total removal:              87.38  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    76.63  percent
    Total to Air:               10.15  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0279          0.148        1000       
   Water     16.4            360          1000       
   Soil      80.8            720          1000       
   Sediment  2.77            3.24e+003    0          
     Persistence Time: 389 hr