CAS Num: 000077-54-3
SMILES : O=C(OC(C(CC(C1CC2)(C2C)C3)C1(C)C)(C3)C)C
CHEM   : 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, 
          3R-(3.alpha.,3a.beta.,6.alpha.,7.beta.,8a.alpha.
MOL FOR: C17 H28 O2 
MOL WT : 264.41
------------------------------ 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) =  5.33

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  300.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  85.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000515  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0686  (Modified Grain method)
    Subcooled liquid VP: 0.00194 mm Hg (25 deg C, Mod-Grain method)
                       : 0.259 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.5502
       log Kow used: 5.33 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.46676 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.94E-004  atm-m3/mole  (8.04E+001 Pa-m3/mole)
   Group Method:   5.73E-005  atm-m3/mole  (5.81E+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:  3.256E-004 atm-m3/mole  (3.300E+001 Pa-m3/mole)
      VP:   0.000515 mm Hg (source: MPBPVP)
      WS:   0.55 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.33  (KowWin est)
  Log Kaw used:  -1.489  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.819
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2441
   Biowin2 (Non-Linear Model)     :   0.1375
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1187  (months      )
   Biowin4 (Primary Survey Model) :   3.2349  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6101
   Biowin6 (MITI Non-Linear Model):   0.3605
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8743
 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):  0.259 Pa (0.00194 mm Hg)
  Log Koa (Koawin est  ): 6.819
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.16E-005 
       Octanol/air (Koa) model:  1.62E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000419 
       Mackay model           :  0.000927 
       Octanol/air (Koa) model:  0.000129 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.9180 E-12 cm3/molecule-sec
      Half-Life =     0.897 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.770 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000673 (Junge-Pankow, Mackay avg)
      0.000129 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7079  L/kg (MCI method)
      Log Koc:  3.850       (MCI method)
      Koc    :  6422  L/kg (Kow method)
      Log Koc:  3.808       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.014E-002  L/mol-sec
  Kb Half-Life at pH 8:     266.184  days   
  Kb Half-Life at pH 7:       7.288  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.185 (BCF = 1529 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1598 days (HL = 1.445 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.753 (BCF = 565.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.763 (BAF = 579.1)
       log Kow used: 5.33 (estimated)

 Volatilization from Water:
    Henry LC:  5.73E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      18.27  hours
    Half-Life from Model Lake :      335.7  hours   (13.99 days)

 Removal In Wastewater Treatment:
    Total removal:              85.80  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    84.80  percent
    Total to Air:                0.27  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.593           21.5         1000       
   Water     10.4            1.44e+003    1000       
   Soil      83.5            2.88e+003    1000       
   Sediment  5.49            1.3e+004     0          
     Persistence Time: 1.64e+003 hr