CAS Number: 52687-98-6
SMILES : CCCSSSSCCC
CHEM   : 1-(propyltetrasulfanyl)propane
MOL FOR: C6 H14 S4 
MOL WT : 214.42
------------------------------ 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) =  3.84
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  299.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  31.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00174  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.232  (Modified Grain method)
    Subcooled liquid VP: 0.00199 mm Hg (25 deg C, Mod-Grain method)
                       : 0.266 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  19.45
       log Kow used: 3.84 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  29.388 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.98E-003  atm-m3/mole  (9.10E+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:  2.524E-005 atm-m3/mole  (2.557E+000 Pa-m3/mole)
      VP:   0.00174 mm Hg (source: MPBPVP)
      WS:   19.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.84  (KowWin est)
  Log Kaw used:  -0.435  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.275
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6455
   Biowin2 (Non-Linear Model)     :   0.4910
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7253  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5384  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2727
   Biowin6 (MITI Non-Linear Model):   0.1293
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7809
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8272
     BioHC Half-Life (days)     :   6.7174
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.265 Pa (0.00199 mm Hg)
  Log Koa (Koawin est  ): 4.275
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.13E-005 
       Octanol/air (Koa) model:  4.62E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000408 
       Mackay model           :  0.000904 
       Octanol/air (Koa) model:  3.7E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 470.5538 E-12 cm3/molecule-sec
      Half-Life =     0.023 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.366 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000656 (Junge-Pankow, Mackay avg)
      3.7E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1451  L/kg (MCI method)
      Log Koc:  3.162       (MCI method)
      Koc    :  2149  L/kg (Kow method)
      Log Koc:  3.332       (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 = 0.859 (BCF = 7.223 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3205 days (HL = 0.4781 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.199 (BCF = 158.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.199 (BAF = 158.2)
       log Kow used: 3.84 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00898 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.59  hours
    Half-Life from Model Lake :      140.1  hours   (5.839 days)
 
 Removal In Wastewater Treatment:
    Total removal:              80.75  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:    15.54  percent
    Total to Air:               65.11  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.188           0.546        1000       
   Water     24.9            900          1000       
   Soil      72.8            1.8e+003     1000       
   Sediment  2.03            8.1e+003     0          
     Persistence Time: 319 hr