CAS Num: 073003-91-5
SMILES : O=C(OC(C(CCC(C(=C1C(C2)C)C2)C)C1)(C)C)CCC
CHEM   : Butanoic acid, 1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-a
         zulenyl)ethyl ester,  3S-(3.alpha.,5.alpha.,8.alp
MOL FOR: C19 H32 O2 
MOL WT : 292.47
------------------------------ 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) =  7.23

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  341.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  102.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.66E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00488  (Modified Grain method)
    Subcooled liquid VP: 0.000208 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0277 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.009096
       log Kow used: 7.23 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.11597 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.89E-003  atm-m3/mole  (3.94E+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:  1.548E-003 atm-m3/mole  (1.569E+002 Pa-m3/mole)
      VP:   3.66E-005 mm Hg (source: MPBPVP)
      WS:   0.0091 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.23  (KowWin est)
  Log Kaw used:  -0.799  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.029
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5986
   Biowin2 (Non-Linear Model)     :   0.7707
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4809  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5013  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4903
   Biowin6 (MITI Non-Linear Model):   0.2105
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1539
 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):  0.0277 Pa (0.000208 mm Hg)
  Log Koa (Koawin est  ): 8.029
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000108 
       Octanol/air (Koa) model:  2.62E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00389 
       Mackay model           :  0.00858 
       Octanol/air (Koa) model:  0.00209 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 125.4793 E-12 cm3/molecule-sec
      Half-Life =     0.085 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.023 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):
      0.00624 (Junge-Pankow, Mackay avg)
      0.00209 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.731E+004  L/kg (MCI method)
      Log Koc:  4.436       (MCI method)
      Koc    :  7.222E+004  L/kg (Kow method)
      Log Koc:  4.859       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.302E-003  L/mol-sec
  Kb Half-Life at pH 8:       4.143  years  
  Kb Half-Life at pH 7:      41.428  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 4.011 (BCF = 1.027e+004 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.3166 days (HL = 20.73 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.198 (BCF = 1577)
   Log BAF Arnot-Gobas method (upper trophic) = 5.344 (BAF = 2.206e+005)
       log Kow used: 7.23 (estimated)

 Volatilization from Water:
    Henry LC:  0.00389 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.003  hours
    Half-Life from Model Lake :      165.2  hours   (6.885 days)

 Removal In Wastewater Treatment:
    Total removal:              93.95  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.00  percent
    Total to Air:                0.17  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0142          0.206        1000       
   Water     10.6            900          1000       
   Soil      80.3            1.8e+003     1000       
   Sediment  9.1             8.1e+003     0          
     Persistence Time: 1.01e+003 hr