CAS Number: 7133-37-1
SMILES : S(C)C(CCC1)CC1
CHEM   : CYCLOHEXANE, (METHYLTHIO)-
MOL FOR: C7 H14 S1 
MOL WT : 130.25
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  3.19
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  171.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -38.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.47  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  196  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  173.5
       log Kow used: 3.19 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  576.45 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.43E-003  atm-m3/mole  (1.45E+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:  1.452E-003 atm-m3/mole  (1.471E+002 Pa-m3/mole)
      VP:   1.47 mm Hg (source: MPBPVP)
      WS:   174 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.19  (KowWin est)
  Log Kaw used:  -1.233  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.423
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6855
   Biowin2 (Non-Linear Model)     :   0.7612
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9113  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6598  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4361
   Biowin6 (MITI Non-Linear Model):   0.4596
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1959
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.9303
     BioHC Half-Life (days)     :   8.5181
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  179 Pa (1.34 mm Hg)
  Log Koa (Koawin est  ): 4.423
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.68E-008 
       Octanol/air (Koa) model:  6.5E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.06E-007 
       Mackay model           :  1.34E-006 
       Octanol/air (Koa) model:  5.2E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.7192 E-12 cm3/molecule-sec
      Half-Life =     0.327 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.923 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      9.75E-007 (Junge-Pankow, Mackay avg)
      5.2E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  446.1  L/kg (MCI method)
      Log Koc:  2.649       (MCI method)
      Koc    :  586.4  L/kg (Kow method)
      Log Koc:  2.768       (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 = 1.771 (BCF = 59.01 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1521 days (HL = 0.7046 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.021 (BCF = 104.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.021 (BAF = 104.9)
       log Kow used: 3.19 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00143 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.632  hours
    Half-Life from Model Lake :      113.5  hours   (4.729 days)
 
 Removal In Wastewater Treatment:
    Total removal:              40.85  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     6.13  percent
    Total to Air:               34.62  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.05            7.85         1000       
   Water     22.8            360          1000       
   Soil      74.8            720          1000       
   Sediment  0.408           3.24e+003    0          
     Persistence Time: 294 hr