CAS Num: 010152-77-9
SMILES : CC=CSC
CHEM   : METHYL PROPENYL SULFIDE
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) =  1.99

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  100.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -82.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  36.9  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.92E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2508
       log Kow used: 1.99 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6970.8 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.45E-003  atm-m3/mole  (3.50E+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:  1.707E-003 atm-m3/mole  (1.730E+002 Pa-m3/mole)
      VP:   36.9 mm Hg (source: MPBPVP)
      WS:   2.51E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.99  (KowWin est)
  Log Kaw used:  -0.851  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.841
      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)    :   0.4630
   Biowin6 (MITI Non-Linear Model):   0.5190
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5299
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.3491
     BioHC Half-Life (days)     :   2.2342

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.67E+003 Pa (35 mm Hg)
  Log Koa (Koawin est  ): 2.841
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.43E-010 
       Octanol/air (Koa) model:  1.7E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.32E-008 
       Mackay model           :  5.14E-008 
       Octanol/air (Koa) model:  1.36E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  59.2968 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  66.8968 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.165 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.919 Hrs (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):
      3.73E-008 (Junge-Pankow, Mackay avg)
      1.36E-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    :  53.3  L/kg (Kow method)
      Log Koc:  1.727       (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 = 0.981 (BCF = 9.562 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4634 days (HL = 0.344 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.002 (BCF = 10.05)
   Log BAF Arnot-Gobas method (upper trophic) = 1.002 (BAF = 10.05)
       log Kow used: 1.99 (estimated)

 Volatilization from Water:
    Henry LC:  0.00345 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.118  hours
    Half-Life from Model Lake :      90.93  hours   (3.789 days)

 Removal In Wastewater Treatment:
    Total removal:              58.39  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     1.18  percent
    Total to Air:               57.15  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.77            3.97         1000       
   Water     58.1            360          1000       
   Soil      37.9            720          1000       
   Sediment  0.277           3.24e+003    0          
     Persistence Time: 111 hr