CAS Number: 33922-70-2
SMILES : CC=CSCCC
CHEM   : 1-propylsulfanylprop-1-ene
MOL FOR: C6 H12 S1 
MOL WT : 116.22
------------------------------ 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) =  2.97
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  146.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -57.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.7  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  627  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  299.4
       log Kow used: 2.97 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  774.86 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.09E-003  atm-m3/mole  (6.17E+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:  2.401E-003 atm-m3/mole  (2.432E+002 Pa-m3/mole)
      VP:   4.7 mm Hg (source: MPBPVP)
      WS:   299 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.97  (KowWin est)
  Log Kaw used:  -0.604  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.574
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6922
   Biowin2 (Non-Linear Model)     :   0.7955
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9423  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6801  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4784
   Biowin6 (MITI Non-Linear Model):   0.5313
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5819
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4819
     BioHC Half-Life (days)     :   3.0334
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  573 Pa (4.3 mm Hg)
  Log Koa (Koawin est  ): 3.574
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.23E-009 
       Octanol/air (Koa) model:  9.2E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.89E-007 
       Mackay model           :  4.19E-007 
       Octanol/air (Koa) model:  7.36E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  68.5129 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  76.1129 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.873 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.686 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):
      3.04E-007 (Junge-Pankow, Mackay avg)
      7.36E-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    :  377.8  L/kg (Kow method)
      Log Koc:  2.577       (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 = 1.629 (BCF = 42.52 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1851 days (HL = 0.653 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.861 (BCF = 72.63)
   Log BAF Arnot-Gobas method (upper trophic) = 1.861 (BAF = 72.63)
       log Kow used: 2.97 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00609 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.204  hours
    Half-Life from Model Lake :      103.5  hours   (4.314 days)
 
 Removal In Wastewater Treatment:
    Total removal:              71.33  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     3.26  percent
    Total to Air:               68.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.7             3.48         1000       
   Water     47.4            360          1000       
   Soil      49.4            720          1000       
   Sediment  0.519           3.24e+003    0          
     Persistence Time: 133 hr