CAS Number: 23838-27-9
SMILES : CCCSSSC=CC
CHEM   : (E)-1-propylsulfanyldisulfanylprop-1-ene
MOL FOR: C6 H12 S3 
MOL WT : 180.34
------------------------------ 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) =  3.62
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  259.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  9.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0168  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.24  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  44.2
       log Kow used: 3.62 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  68.724 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.45E-002  atm-m3/mole  (1.47E+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:  9.019E-005 atm-m3/mole  (9.139E+000 Pa-m3/mole)
      VP:   0.0168 mm Hg (source: MPBPVP)
      WS:   44.2 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:  -0.227  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.847
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6617
   Biowin2 (Non-Linear Model)     :   0.6101
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8006  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5875  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2877
   Biowin6 (MITI Non-Linear Model):   0.1511
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5819
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6147
     BioHC Half-Life (days)     :   4.1184
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.23 Pa (0.0167 mm Hg)
  Log Koa (Koawin est  ): 3.847
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.35E-006 
       Octanol/air (Koa) model:  1.73E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.87E-005 
       Mackay model           :  0.000108 
       Octanol/air (Koa) model:  1.38E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 516.8129 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 524.4129 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   14.901 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   14.685 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):
      7.82E-005 (Junge-Pankow, Mackay avg)
      1.38E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  796  L/kg (MCI method)
      Log Koc:  2.901       (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 v3.00):
   Log BCF from regression-based method = 0.717 (BCF = 5.21 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1498 days (HL = 0.7082 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.251 (BCF = 178.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.251 (BAF = 178.2)
       log Kow used: 3.62 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0145 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.425  hours
    Half-Life from Model Lake :      128.1  hours   (5.339 days)
 
 Removal In Wastewater Treatment:
    Total removal:              86.12  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     9.86  percent
    Total to Air:               76.20  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.352           0.492        1000       
   Water     42.1            360          1000       
   Soil      56.4            720          1000       
   Sediment  1.22            3.24e+003    0          
     Persistence Time: 148 hr