CAS Num: 028588-75-2
SMILES : o(c(c(SSc(cco1)c1C)c2)C)c2
CHEM   : Furan, 3,3'-dithiobis 2-methyl-
MOL FOR: C10 H10 O2 S2 
MOL WT : 226.31
------------------------------ 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) =  4.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  317.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  92.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000166  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0221  (Modified Grain method)
    Subcooled liquid VP: 0.000749 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0999 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.269
       log Kow used: 4.14 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.708 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.88E-005  atm-m3/mole  (5.95E+000 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:  5.333E-006 atm-m3/mole  (5.404E-001 Pa-m3/mole)
      VP:   0.000166 mm Hg (source: MPBPVP)
      WS:   9.27 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.14  (KowWin est)
  Log Kaw used:  -2.619  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.759
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7491
   Biowin2 (Non-Linear Model)     :   0.7210
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5494  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3842  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1547
   Biowin6 (MITI Non-Linear Model):   0.0515
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2892
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0999 Pa (0.000749 mm Hg)
  Log Koa (Koawin est  ): 6.759
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3E-005 
       Octanol/air (Koa) model:  1.41E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00108 
       Mackay model           :  0.0024 
       Octanol/air (Koa) model:  0.000113 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 425.2720 E-12 cm3/molecule-sec
      Half-Life =     0.025 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    18.109 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00174 (Junge-Pankow, Mackay avg)
      0.000113 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.347E+004  L/kg (MCI method)
      Log Koc:  4.129       (MCI method)
      Koc    :  3915  L/kg (Kow method)
      Log Koc:  3.593       (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 = 1.059 (BCF = 11.45 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3116 days (HL = 0.4879 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.258 (BCF = 181.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.258 (BAF = 181.2)
       log Kow used: 4.14 (estimated)

 Volatilization from Water:
    Henry LC:  5.88E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      16.51  hours
    Half-Life from Model Lake :      306.3  hours   (12.76 days)

 Removal In Wastewater Treatment:
    Total removal:              38.33  percent
    Total biodegradation:        0.37  percent
    Total sludge adsorption:    36.07  percent
    Total to Air:                1.89  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0311          0.604        1000       
   Water     12.8            900          1000       
   Soil      77.1            1.8e+003     1000       
   Sediment  10              8.1e+003     0          
     Persistence Time: 1.12e+003 hr