CAS Number: 35379-09-0
SMILES : Cc1ccccc1SSC
CHEM   : 
MOL FOR: C8 H10 S2 
MOL WT : 170.29
------------------------------ 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) =  3.64
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  260.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  26.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0152  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.02  (Modified Grain method)
    Subcooled liquid VP: 0.0156 mm Hg (25 deg C, Mod-Grain method)
                       : 2.08 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  48
       log Kow used: 3.64 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  19.559 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.68E-004  atm-m3/mole  (2.71E+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:  7.095E-005 atm-m3/mole  (7.189E+000 Pa-m3/mole)
      VP:   0.0152 mm Hg (source: MPBPVP)
      WS:   48 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.64  (KowWin est)
  Log Kaw used:  -1.960  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.600
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7211
   Biowin2 (Non-Linear Model)     :   0.7627
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7480  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5335  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2803
   Biowin6 (MITI Non-Linear Model):   0.1703
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0030
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6466
     BioHC Half-Life (days)     :   4.4317
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.08 Pa (0.0156 mm Hg)
  Log Koa (Koawin est  ): 5.600
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.44E-006 
       Octanol/air (Koa) model:  9.77E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.21E-005 
       Mackay model           :  0.000115 
       Octanol/air (Koa) model:  7.82E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 241.6067 E-12 cm3/molecule-sec
      Half-Life =     0.044 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.531 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      8.37E-005 (Junge-Pankow, Mackay avg)
      7.82E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1331  L/kg (MCI method)
      Log Koc:  3.124       (MCI method)
      Koc    :  1441  L/kg (Kow method)
      Log Koc:  3.159       (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 = 0.726 (BCF = 5.327 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1179 days (HL = 1.312 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.398 (BCF = 250.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.398 (BAF = 250.3)
       log Kow used: 3.64 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000268 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.182  hours
    Half-Life from Model Lake :        155  hours   (6.46 days)
 
 Removal In Wastewater Treatment:
    Total removal:              25.23  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    15.61  percent
    Total to Air:                9.42  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0849          1.06         1000       
   Water     12.3            900          1000       
   Soil      86.7            1.8e+003     1000       
   Sediment  0.914           8.1e+003     0          
     Persistence Time: 898 hr