CAS Num: 000766-92-7
SMILES : S(Cc(cccc1)c1)C
CHEM   : Benzene,  (methylthio)methyl -
MOL FOR: C8 H10 S1 
MOL WT : 138.23
------------------------------ 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) =  2.63

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  208.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -12.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.218  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  29.1  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -30 deg C
    BP  (exp database):  210 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  486.3
       log Kow used: 2.63 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  163.3 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.34E-005  atm-m3/mole  (6.43E+000 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:  8.153E-005 atm-m3/mole  (8.261E+000 Pa-m3/mole)
      VP:   0.218 mm Hg (source: MPBPVP)
      WS:   486 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.63  (KowWin est)
  Log Kaw used:  -2.586  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.216
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8098
   Biowin2 (Non-Linear Model)     :   0.9451
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9157  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6532  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2867
   Biowin6 (MITI Non-Linear Model):   0.2750
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4902
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7627
     BioHC Half-Life (days)     :   5.7897

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  26.8 Pa (0.201 mm Hg)
  Log Koa (Koawin est  ): 5.216
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.12E-007 
       Octanol/air (Koa) model:  4.04E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.04E-006 
       Mackay model           :  8.96E-006 
       Octanol/air (Koa) model:  3.23E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.8911 E-12 cm3/molecule-sec
      Half-Life =     0.718 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.619 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      6.5E-006 (Junge-Pankow, Mackay avg)
      3.23E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  813.1  L/kg (MCI method)
      Log Koc:  2.910       (MCI method)
      Koc    :  191.5  L/kg (Kow method)
      Log Koc:  2.282       (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 = 1.400 (BCF = 25.13 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8746 days (HL = 0.1335 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.376 (BCF = 23.75)
   Log BAF Arnot-Gobas method (upper trophic) = 1.376 (BAF = 23.75)
       log Kow used: 2.63 (estimated)

 Volatilization from Water:
    Henry LC:  6.34E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      12.06  hours
    Half-Life from Model Lake :      230.1  hours   (9.588 days)

 Removal In Wastewater Treatment:
    Total removal:               6.64  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.35  percent
    Total to Air:                3.19  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.72            17.2         1000       
   Water     22.1            360          1000       
   Soil      75.5            720          1000       
   Sediment  0.655           3.24e+003    0          
     Persistence Time: 446 hr