CAS Number: 143038-13-5
SMILES : CCCSS(=O)C=CC
CHEM   : 
MOL FOR: C6 H12 O1 S2 
MOL WT : 164.28
------------------------------ 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) =  1.93
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  269.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  28.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00884  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.18  (Modified Grain method)
    Subcooled liquid VP: 0.00954 mm Hg (25 deg C, Mod-Grain method)
                       : 1.27 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1479
       log Kow used: 1.93 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.2179e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   Incomplete
   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:  1.292E-006 atm-m3/mole  (1.309E-001 Pa-m3/mole)
      VP:   0.00884 mm Hg (source: MPBPVP)
      WS:   1.48E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6693
   Biowin2 (Non-Linear Model)     :   0.6628
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8361  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6107  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3354
   Biowin6 (MITI Non-Linear Model):   0.2206
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5819
 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):  1.27 Pa (0.00954 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.36E-006 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.52E-005 
       Mackay model           :  0.000189 
       Octanol/air (Koa) model:  not available
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 291.8129 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 299.4129 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   26.391 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   25.721 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):
      0.000137 (Junge-Pankow, Mackay avg)
      not available (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  35.28  L/kg (MCI method)
      Log Koc:  1.548       (MCI method)
      Koc    :  142.6  L/kg (Kow method)
      Log Koc:  2.154       (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 = 0.939 (BCF = 8.68 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6298 days (HL = 0.2345 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.927 (BCF = 8.449)
   Log BAF Arnot-Gobas method (upper trophic) = 0.927 (BAF = 8.449)
       log Kow used: 1.93 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.29E-006 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      582.1  hours   (24.26 days)
    Half-Life from Model Lake :       6458  hours   (269.1 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.26  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.09  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.105           0.864        1000       
   Water     32.9            360          1000       
   Soil      66.9            720          1000       
   Sediment  0.108           3.24e+003    0          
     Persistence Time: 407 hr