CAS Number: 92285-01-3
SMILES : O=S(CC=CSSCC=C)CC=C
CHEM   : 
MOL FOR: C9 H14 O1 S3 
MOL WT : 234.39
------------------------------ 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) =  2.28
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  349.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  84.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.75E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.005  (Modified Grain method)
    Subcooled liquid VP: 0.000138 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0184 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  327.2
       log Kow used: 2.28 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  343.06 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Sulfones
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.19E-009  atm-m3/mole  (6.27E-004 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:  3.535E-008 atm-m3/mole  (3.581E-003 Pa-m3/mole)
      VP:   3.75E-005 mm Hg (source: MPBPVP)
      WS:   327 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.28  (KowWin est)
  Log Kaw used:  -6.597  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.877
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6360
   Biowin2 (Non-Linear Model)     :   0.4208
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6812  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5096  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2126
   Biowin6 (MITI Non-Linear Model):   0.0616
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3259
 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):  0.0184 Pa (0.000138 mm Hg)
  Log Koa (Koawin est  ): 8.877
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000163 
       Octanol/air (Koa) model:  0.000185 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00585 
       Mackay model           :  0.0129 
       Octanol/air (Koa) model:  0.0146 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 415.8556 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 423.4556 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   18.519 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   18.186 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.968750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     3.537500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =   555.870 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =   466.498 Min (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.00937 (Junge-Pankow, Mackay avg)
      0.0146 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  505.9  L/kg (MCI method)
      Log Koc:  2.704       (MCI method)
      Koc    :  191.1  L/kg (Kow method)
      Log Koc:  2.281       (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 = -0.171 (BCF = 0.6748 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5749 days (HL = 0.2661 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.226 (BCF = 16.81)
   Log BAF Arnot-Gobas method (upper trophic) = 1.226 (BAF = 16.81)
       log Kow used: 2.28 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.19E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.448E+005  hours   (6034 days)
    Half-Life from Model Lake :  1.58E+006  hours   (6.583E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.60  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.51  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0171          0.579        1000       
   Water     16.8            900          1000       
   Soil      82.7            1.8e+003     1000       
   Sediment  0.47            8.1e+003     0          
     Persistence Time: 1.21e+003 hr