CAS Number: 32637-94-8
SMILES : CC1CCC(C(=O)C1)C(C)(C)SC
CHEM   : 
MOL FOR: C11 H20 O1 S1 
MOL WT : 200.34
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  2.92
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  274.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  47.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00462  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.616  (Modified Grain method)
    Subcooled liquid VP: 0.00746 mm Hg (25 deg C, Mod-Grain method)
                       : 0.994 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  140.2
       log Kow used: 2.92 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  394.83 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.69E-006  atm-m3/mole  (1.72E-001 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:  8.687E-006 atm-m3/mole  (8.802E-001 Pa-m3/mole)
      VP:   0.00462 mm Hg (source: MPBPVP)
      WS:   140 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.92  (KowWin est)
  Log Kaw used:  -4.161  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.081
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4751
   Biowin2 (Non-Linear Model)     :   0.1179
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5218  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3830  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3872
   Biowin6 (MITI Non-Linear Model):   0.1829
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4895
 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):  0.995 Pa (0.00746 mm Hg)
  Log Koa (Koawin est  ): 7.081
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.02E-006 
       Octanol/air (Koa) model:  2.96E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000109 
       Mackay model           :  0.000241 
       Octanol/air (Koa) model:  0.000237 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.5252 E-12 cm3/molecule-sec
      Half-Life =     0.497 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.963 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000175 (Junge-Pankow, Mackay avg)
      0.000237 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  382.9  L/kg (MCI method)
      Log Koc:  2.583       (MCI method)
      Koc    :  544.3  L/kg (Kow method)
      Log Koc:  2.736       (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 v3.01):
   Log BCF from regression-based method = 1.593 (BCF = 39.16 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3378 days (HL = 0.4594 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.776 (BCF = 59.7)
   Log BAF Arnot-Gobas method (upper trophic) = 1.776 (BAF = 59.7)
       log Kow used: 2.92 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.69E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      491.8  hours   (20.49 days)
    Half-Life from Model Lake :       5484  hours   (228.5 days)
 
 Removal In Wastewater Treatment:
    Total removal:               5.15  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.94  percent
    Total to Air:                0.09  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.475           11.9         1000       
   Water     19.5            900          1000       
   Soil      79.6            1.8e+003     1000       
   Sediment  0.416           8.1e+003     0          
     Persistence Time: 1.02e+003 hr