CAS Number: 65819-74-1
SMILES : CC=CSC=CC
CHEM   : (E)-1-[(E)-prop-1-enyl]sulfanylprop-1-ene
MOL FOR: C6 H10 S1 
MOL WT : 114.21
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  2.76
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  153.37  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -57.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.43  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  457  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  464.4
       log Kow used: 2.76 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1684.5 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.52E-002  atm-m3/mole  (1.54E+003 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:  1.110E-003 atm-m3/mole  (1.125E+002 Pa-m3/mole)
      VP:   3.43 mm Hg (source: MPBPVP)
      WS:   464 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.76  (KowWin est)
  Log Kaw used:  -0.207  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.967
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6932
   Biowin2 (Non-Linear Model)     :   0.8001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9468  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6830  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3980
   Biowin6 (MITI Non-Linear Model):   0.3501
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3828
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.3358
     BioHC Half-Life (days)     :   2.1669
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  417 Pa (3.13 mm Hg)
  Log Koa (Koawin est  ): 2.967
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.19E-009 
       Octanol/air (Koa) model:  2.28E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.6E-007 
       Mackay model           :  5.75E-007 
       Octanol/air (Koa) model:  1.82E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 114.7720 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 129.9720 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.118 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.988 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     2.275000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.007 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    12.090 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      4.17E-007 (Junge-Pankow, Mackay avg)
      1.82E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  239.7  L/kg (MCI method)
      Log Koc:  2.380       (MCI method)
      Koc    :  248.3  L/kg (Kow method)
      Log Koc:  2.395       (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 = 1.487 (BCF = 30.67 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0967 days (HL = 0.8004 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.711 (BCF = 51.44)
   Log BAF Arnot-Gobas method (upper trophic) = 1.711 (BAF = 51.44)
       log Kow used: 2.76 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0152 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.132  hours
    Half-Life from Model Lake :        102  hours   (4.248 days)
 
 Removal In Wastewater Treatment:
    Total removal:              85.73  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     1.93  percent
    Total to Air:               83.77  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.38            2.05         1000       
   Water     65.2            360          1000       
   Soil      31.7            720          1000       
   Sediment  0.713           3.24e+003    0          
     Persistence Time: 95.2 hr