CAS Number: 143193-11-7
SMILES : CCCSSC(CC)SC=CC
CHEM   : 
MOL FOR: C9 H18 S3 
MOL WT : 222.42
------------------------------ 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) =  4.92
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  297.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  10.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00226  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.302  (Modified Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.09
       log Kow used: 4.92 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.5829 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.77E-004  atm-m3/mole  (1.79E+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:  3.165E-004 atm-m3/mole  (3.207E+001 Pa-m3/mole)
      VP:   0.00226 mm Hg (source: MPBPVP)
      WS:   2.09 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.92  (KowWin est)
  Log Kaw used:  -2.140  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.060
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6417
   Biowin2 (Non-Linear Model)     :   0.4626
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7076  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5268  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1616
   Biowin6 (MITI Non-Linear Model):   0.0697
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3624
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8752
     BioHC Half-Life (days)     :   7.5029
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.301 Pa (0.00226 mm Hg)
  Log Koa (Koawin est  ): 7.060
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.96E-006 
       Octanol/air (Koa) model:  2.82E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000359 
       Mackay model           :  0.000796 
       Octanol/air (Koa) model:  0.000225 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 440.0054 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 447.6054 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   17.502 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   17.205 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.568750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.015 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.007 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.000578 (Junge-Pankow, Mackay avg)
      0.000225 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4440  L/kg (MCI method)
      Log Koc:  3.647       (MCI method)
      Koc    :  1.861E+004  L/kg (Kow method)
      Log Koc:  4.270       (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 = 1.574 (BCF = 37.54 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2198 days (HL = 1.659 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.802 (BCF = 633.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.807 (BAF = 641.2)
       log Kow used: 4.92 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000177 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      6.455  hours
    Half-Life from Model Lake :      195.5  hours   (8.145 days)
 
 Removal In Wastewater Treatment:
    Total removal:              75.78  percent
    Total biodegradation:        0.64  percent
    Total sludge adsorption:    73.42  percent
    Total to Air:                1.71  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0384          0.576        1000       
   Water     11.9            900          1000       
   Soil      85              1.8e+003     1000       
   Sediment  3.04            8.1e+003     0          
     Persistence Time: 994 hr