CAS Num: 010152-76-8
SMILES : S(CC=C)C
CHEM   : 1-Propene, 3-(methylthio)-
MOL FOR: C4 H8 S1 
MOL WT : 88.17
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.76

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  91.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -83.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  52.7  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  7.03E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  92 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3910
       log Kow used: 1.76 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2474.6 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.03E-003  atm-m3/mole  (1.05E+002 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:  1.564E-003 atm-m3/mole  (1.584E+002 Pa-m3/mole)
      VP:   52.7 mm Hg (source: MPBPVP)
      WS:   3.91E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.76  (KowWin est)
  Log Kaw used:  -1.376  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.136
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7056
   Biowin2 (Non-Linear Model)     :   0.8528
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0043  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7205  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5182
   Biowin6 (MITI Non-Linear Model):   0.6259
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5619
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5058
     BioHC Half-Life (days)     :   3.2045

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.72E+003 Pa (50.4 mm Hg)
  Log Koa (Koawin est  ): 3.136
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.46E-010 
       Octanol/air (Koa) model:  3.36E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.61E-008 
       Mackay model           :  3.57E-008 
       Octanol/air (Koa) model:  2.69E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  36.3460 E-12 cm3/molecule-sec
      Half-Life =     0.294 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.531 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.59E-008 (Junge-Pankow, Mackay avg)
      2.69E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  72.17  L/kg (MCI method)
      Log Koc:  1.858       (MCI method)
      Koc    :  33.66  L/kg (Kow method)
      Log Koc:  1.527       (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 = 0.831 (BCF = 6.784 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6549 days (HL = 0.2214 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.791 (BCF = 6.174)
   Log BAF Arnot-Gobas method (upper trophic) = 0.791 (BAF = 6.174)
       log Kow used: 1.76 (estimated)

 Volatilization from Water:
    Henry LC:  0.00103 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.492  hours
    Half-Life from Model Lake :      95.01  hours   (3.959 days)

 Removal In Wastewater Treatment:
    Total removal:              31.44  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.50  percent
    Total to Air:               29.86  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.77            5.4          1000       
   Water     38.8            360          1000       
   Soil      58.3            720          1000       
   Sediment  0.185           3.24e+003    0          
     Persistence Time: 181 hr