CAS Number: 134-28-1
SMILES : O=C(OC(C(CCC(C(=C1C(C2)C)C2)C)C1)(C)C)C
CHEM   : 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetr
         amethyl-, acetate,  3S-(3.alpha.,5.alpha.,8.alpha
MOL FOR: C17 H28 O2 
MOL WT : 264.41
------------------------------ 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) =  6.25
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  316.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  83.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000226  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0302  (Modified Grain method)
    Subcooled liquid VP: 0.000824 mm Hg (25 deg C, Mod-Grain method)
                       : 0.11 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0908
       log Kow used: 6.25 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.2434 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.21E-003  atm-m3/mole  (2.24E+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:  8.659E-004 atm-m3/mole  (8.774E+001 Pa-m3/mole)
      VP:   0.000226 mm Hg (source: MPBPVP)
      WS:   0.0908 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.25  (KowWin est)
  Log Kaw used:  -1.044  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.294
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6119
   Biowin2 (Non-Linear Model)     :   0.8335
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5429  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5418  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4749
   Biowin6 (MITI Non-Linear Model):   0.2025
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2059
 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):  0.11 Pa (0.000824 mm Hg)
  Log Koa (Koawin est  ): 7.294
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.73E-005 
       Octanol/air (Koa) model:  4.83E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000985 
       Mackay model           :  0.00218 
       Octanol/air (Koa) model:  0.000386 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 123.8492 E-12 cm3/molecule-sec
      Half-Life =     0.086 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.036 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   120.000000 E-17 cm3/molecule-sec
      Half-Life =     0.010 Days (at 7E11 mol/cm3)
      Half-Life =     13.752 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00158 (Junge-Pankow, Mackay avg)
      0.000386 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7855  L/kg (MCI method)
      Log Koc:  3.895       (MCI method)
      Koc    :  2.073E+004  L/kg (Kow method)
      Log Koc:  4.317       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.022E-002  L/mol-sec
  Kb Half-Life at pH 8:       2.148  years  
  Kb Half-Life at pH 7:      21.483  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.789 (BCF = 6152 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0383 days (HL = 10.92 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.464 (BCF = 2912)
   Log BAF Arnot-Gobas method (upper trophic) = 4.392 (BAF = 2.465e+004)
       log Kow used: 6.25 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00221 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2.09  hours
    Half-Life from Model Lake :      159.1  hours   (6.631 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.13  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    91.43  percent
    Total to Air:                0.95  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0183          0.206        1000       
   Water     9.73            900          1000       
   Soil      86.2            1.8e+003     1000       
   Sediment  4.08            8.1e+003     0          
     Persistence Time: 890 hr