CAS Num: 003526-75-8
SMILES : OC(C(CCC(C(C1C(C2)C)C2)C)C1)(C)C
CHEM   : 5-Azulenemethanol, decahydro-.alpha.,.alpha.,3,8-tetramethyl-,  3S-(3
         .alpha.,3a.beta.,5.alpha.,8.alpha.,8a.beta.) -
MOL FOR: C15 H28 O1 
MOL WT : 224.39
------------------------------ 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) =  4.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  289.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  56.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000134  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0179  (Modified Grain method)
    Subcooled liquid VP: 0.000264 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0352 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.531
       log Kow used: 4.86 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.022 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.76E-005  atm-m3/mole  (2.80E+000 Pa-m3/mole)
   Group Method:   1.54E-005  atm-m3/mole  (1.56E+000 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:  5.253E-006 atm-m3/mole  (5.323E-001 Pa-m3/mole)
      VP:   0.000134 mm Hg (source: MPBPVP)
      WS:   7.53 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.86  (KowWin est)
  Log Kaw used:  -2.948  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.808
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4568
   Biowin2 (Non-Linear Model)     :   0.1300
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4912  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3706  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2747
   Biowin6 (MITI Non-Linear Model):   0.0502
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2192
 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):  0.0352 Pa (0.000264 mm Hg)
  Log Koa (Koawin est  ): 7.808
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.52E-005 
       Octanol/air (Koa) model:  1.58E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00307 
       Mackay model           :  0.00677 
       Octanol/air (Koa) model:  0.00126 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.1434 E-12 cm3/molecule-sec
      Half-Life =     0.380 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.561 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00492 (Junge-Pankow, Mackay avg)
      0.00126 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1367  L/kg (MCI method)
      Log Koc:  3.136       (MCI method)
      Koc    :  1592  L/kg (Kow method)
      Log Koc:  3.202       (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 = 2.871 (BCF = 742.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.2538 days (HL = 17.94 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.529 (BCF = 3378)
   Log BAF Arnot-Gobas method (upper trophic) = 3.754 (BAF = 5676)
       log Kow used: 4.86 (estimated)

 Volatilization from Water:
    Henry LC:  1.54E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      58.48  hours   (2.437 days)
    Half-Life from Model Lake :      763.6  hours   (31.81 days)

 Removal In Wastewater Treatment:
    Total removal:              72.87  percent
    Total biodegradation:        0.64  percent
    Total sludge adsorption:    72.03  percent
    Total to Air:                0.20  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.402           9.12         1000       
   Water     17.1            900          1000       
   Soil      81.2            1.8e+003     1000       
   Sediment  1.3             8.1e+003     0          
     Persistence Time: 1.04e+003 hr