CAS Num: 068398-18-5
SMILES : S(C(CC1CC2)C2C)C1(C)C
CHEM   : 6-Thiabicyclo[3.2.1]octane, 4,7,7-trimethyl-
MOL FOR: C10 H18 S1 
MOL WT : 170.32
------------------------------ 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) =  3.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  209.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  29.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.191  (Modified Grain method)
    VP (Pa, 25 deg C) :  25.5  (Modified Grain method)
    Subcooled liquid VP: 0.21 mm Hg (25 deg C, Mod-Grain method)
                       : 28 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  25.98
       log Kow used: 3.95 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18.28 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.47E-003  atm-m3/mole  (1.49E+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:  1.648E-003 atm-m3/mole  (1.669E+002 Pa-m3/mole)
      VP:   0.191 mm Hg (source: MPBPVP)
      WS:   26 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.95  (KowWin est)
  Log Kaw used:  -1.221  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.171
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4825
   Biowin2 (Non-Linear Model)     :   0.2436
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6107  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4486  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3708
   Biowin6 (MITI Non-Linear Model):   0.1662
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0214
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   2.0633
     BioHC Half-Life (days)     : 115.6841

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  28 Pa (0.21 mm Hg)
  Log Koa (Koawin est  ): 5.171
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.07E-007 
       Octanol/air (Koa) model:  3.64E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.87E-006 
       Mackay model           :  8.57E-006 
       Octanol/air (Koa) model:  2.91E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.8294 E-12 cm3/molecule-sec
      Half-Life =     0.414 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.969 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.22E-006 (Junge-Pankow, Mackay avg)
      2.91E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1800  L/kg (MCI method)
      Log Koc:  3.255       (MCI method)
      Koc    :  2678  L/kg (Kow method)
      Log Koc:  3.428       (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 = 2.273 (BCF = 187.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6511 days (HL = 4.478 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.793 (BCF = 621.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.797 (BAF = 626.5)
       log Kow used: 3.95 (estimated)

 Volatilization from Water:
    Henry LC:  0.00147 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.852  hours
    Half-Life from Model Lake :      129.6  hours   (5.401 days)

 Removal In Wastewater Treatment:
    Total removal:              51.86  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    23.54  percent
    Total to Air:               28.11  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.04            9.94         1000       
   Water     11.8            900          1000       
   Soil      86              1.8e+003     1000       
   Sediment  1.19            8.1e+003     0          
     Persistence Time: 732 hr