CAS Num: 000625-80-9
SMILES : S(C(C)C)C(C)C
CHEM   : Propane, 2,2 -thiobis-
MOL FOR: C6 H14 S1 
MOL WT : 118.24
------------------------------ 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) =  2.74
    Log Kow (Exper. database match) =  2.84
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  111.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -79.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  15.6  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.08E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -78.1 deg C
    BP  (exp database):  120.1 deg C
    VP  (exp database):  1.92E+01 mm Hg (2.56E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  382.5
       log Kow used: 2.84 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  759.61 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.44E-003  atm-m3/mole  (2.47E+002 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 3.30E-03  atm-m3/mole  (3.34E+002 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  6.345E-003 atm-m3/mole  (6.429E+002 Pa-m3/mole)
      VP:   15.6 mm Hg (source: MPBPVP)
      WS:   383 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.84  (exp database)
  Log Kaw used:  -0.870  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.710
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6913
   Biowin2 (Non-Linear Model)     :   0.7908
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9379  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6771  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2607
   Biowin6 (MITI Non-Linear Model):   0.2671
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1861
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7506
     BioHC Half-Life (days)     :   5.6313

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.56E+003 Pa (19.2 mm Hg)
  Log Koa (Koawin est  ): 3.710
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.17E-009 
       Octanol/air (Koa) model:  1.26E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.23E-008 
       Mackay model           :  9.37E-008 
       Octanol/air (Koa) model:  1.01E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.6331 E-12 cm3/molecule-sec
      Half-Life =     0.328 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.933 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      6.8E-008 (Junge-Pankow, Mackay avg)
      1.01E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  169.6  L/kg (MCI method)
      Log Koc:  2.229       (MCI method)
      Koc    :  291.4  L/kg (Kow method)
      Log Koc:  2.464       (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 = 1.541 (BCF = 34.74 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3695 days (HL = 0.4271 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.711 (BCF = 51.38)
   Log BAF Arnot-Gobas method (upper trophic) = 1.711 (BAF = 51.38)
       log Kow used: 2.84 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0033 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.303  hours
    Half-Life from Model Lake :      105.4  hours   (4.391 days)

 Removal In Wastewater Treatment:
    Total removal:              57.99  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     2.97  percent
    Total to Air:               54.96  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.86            7.87         1000       
   Water     41.8            360          1000       
   Soil      53              720          1000       
   Sediment  0.353           3.24e+003    0          
     Persistence Time: 154 hr