CAS Number: 23838-21-3
SMILES : CCCSSC=CC
CHEM   : (E)-1-propyldisulfanylprop-1-ene
MOL FOR: C6 H12 S2 
MOL WT : 148.28
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  3.62
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  206.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -22.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.26  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  34.7  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  62.2
       log Kow used: 3.62 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  71.017 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.40E-003  atm-m3/mole  (9.52E+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:  8.156E-004 atm-m3/mole  (8.264E+001 Pa-m3/mole)
      VP:   0.26 mm Hg (source: MPBPVP)
      WS:   62.2 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.62  (KowWin est)
  Log Kaw used:  -0.415  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.035
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6770
   Biowin2 (Non-Linear Model)     :   0.7116
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8715  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6338  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3830
   Biowin6 (MITI Non-Linear Model):   0.3100
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5819
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.5483
     BioHC Half-Life (days)     :   3.5345
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  31.9 Pa (0.239 mm Hg)
  Log Koa (Koawin est  ): 4.035
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.41E-008 
       Octanol/air (Koa) model:  2.66E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.4E-006 
       Mackay model           :  7.53E-006 
       Octanol/air (Koa) model:  2.13E-007 
 
 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):
      5.47E-006 (Junge-Pankow, Mackay avg)
      2.13E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  436.8  L/kg (MCI method)
      Log Koc:  2.640       (MCI method)
      Koc    :  1385  L/kg (Kow method)
      Log Koc:  3.141       (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 = 0.717 (BCF = 5.21 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0676 days (HL = 0.8558 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.298 (BCF = 198.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.298 (BAF = 198.6)
       log Kow used: 3.62 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0094 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.318  hours
    Half-Life from Model Lake :      116.5  hours   (4.854 days)
 
 Removal In Wastewater Treatment:
    Total removal:              80.42  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    10.34  percent
    Total to Air:               70.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.664           0.864        1000       
   Water     45.2            360          1000       
   Soil      53.4            720          1000       
   Sediment  0.795           3.24e+003    0          
     Persistence Time: 138 hr