CAS Num: 016128-68-0
SMILES : SCC(S)CC
CHEM   : 1,2-Butanedithiol
MOL FOR: C4 H10 S2 
MOL WT : 122.24
------------------------------ 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) =  2.12

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  171.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -46.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.45  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  193  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1524
       log Kow used: 2.12 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  434.74 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Thiols and Mercaptans

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.17E-004  atm-m3/mole  (2.20E+001 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:  1.530E-004 atm-m3/mole  (1.551E+001 Pa-m3/mole)
      VP:   1.45 mm Hg (source: MPBPVP)
      WS:   1.52E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.12  (KowWin est)
  Log Kaw used:  -2.052  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.172
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6893
   Biowin2 (Non-Linear Model)     :   0.7812
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9290  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6714  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3970
   Biowin6 (MITI Non-Linear Model):   0.4441
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6426
 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):  175 Pa (1.31 mm Hg)
  Log Koa (Koawin est  ): 4.172
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.72E-008 
       Octanol/air (Koa) model:  3.65E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.2E-007 
       Mackay model           :  1.37E-006 
       Octanol/air (Koa) model:  2.92E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  98.1701 E-12 cm3/molecule-sec
      Half-Life =     0.109 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.307 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.97E-007 (Junge-Pankow, Mackay avg)
      2.92E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  115.8  L/kg (MCI method)
      Log Koc:  2.064       (MCI method)
      Koc    :  69.11  L/kg (Kow method)
      Log Koc:  1.840       (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 = 1.066 (BCF = 11.63 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0968 days (HL = 0.08002 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.957 (BCF = 9.065)
   Log BAF Arnot-Gobas method (upper trophic) = 0.957 (BAF = 9.065)
       log Kow used: 2.12 (estimated)

 Volatilization from Water:
    Henry LC:  0.000217 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.111  hours
    Half-Life from Model Lake :      137.6  hours   (5.732 days)

 Removal In Wastewater Treatment:
    Total removal:              11.57  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.11  percent
    Total to Air:                9.37  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.551           2.62         1000       
   Water     25.7            360          1000       
   Soil      73.6            720          1000       
   Sediment  0.165           3.24e+003    0          
     Persistence Time: 336 hr