CAS Number: 139-66-2
SMILES : S(c(cccc1)c1)c(cccc2)c2
CHEM   : Benzene, 1,1 -thiobis-
MOL FOR: C12 H10 S1 
MOL WT : 186.27
------------------------------ 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) =  4.29
    Log Kow (Exper. database match) =  4.45
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  298.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  49.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00241  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.322  (Modified Grain method)
    MP  (exp database):  -25.9 deg C
    BP  (exp database):  296 deg C
    VP  (exp database):  7.54E-03 mm Hg (1.01E+000 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  8.124
       log Kow used: 4.45 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.2468 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.14E-005  atm-m3/mole  (3.18E+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:  7.271E-005 atm-m3/mole  (7.367E+000 Pa-m3/mole)
      VP:   0.00241 mm Hg (source: MPBPVP)
      WS:   8.12 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.45  (exp database)
  Log Kaw used:  -2.892  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.342
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9150
   Biowin2 (Non-Linear Model)     :   0.9813
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8316  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5888  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2402
   Biowin6 (MITI Non-Linear Model):   0.1611
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3181
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8081
     BioHC Half-Life (days)     :   6.4282
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.01 Pa (0.00754 mm Hg)
  Log Koa (Koawin est  ): 7.342
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.98E-006 
       Octanol/air (Koa) model:  5.4E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000108 
       Mackay model           :  0.000239 
       Octanol/air (Koa) model:  0.000431 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.1414 E-12 cm3/molecule-sec
      Half-Life =     0.425 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.105 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000173 (Junge-Pankow, Mackay avg)
      0.000431 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9161  L/kg (MCI method)
      Log Koc:  3.962       (MCI method)
      Koc    :  7274  L/kg (Kow method)
      Log Koc:  3.862       (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 = 2.603 (BCF = 401 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0451 days (HL = 0.9013 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.527 (BCF = 336.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.527 (BAF = 336.7)
       log Kow used: 4.45 (expkow database)
 
 Volatilization from Water:
    Henry LC:  3.14E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      26.84  hours   (1.118 days)
    Half-Life from Model Lake :      407.2  hours   (16.97 days)
 
 Removal In Wastewater Treatment:
    Total removal:              53.87  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    52.62  percent
    Total to Air:                0.75  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.96            10.2         1000       
   Water     21.3            360          1000       
   Soil      71.9            720          1000       
   Sediment  5.84            3.24e+003    0          
     Persistence Time: 482 hr