CAS Num: 000540-63-6
SMILES : SCCS
CHEM   : 1,2-Ethanedithiol
MOL FOR: C2 H6 S2 
MOL WT : 94.19
------------------------------ 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) =  1.21

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  141.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -59.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.83  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  643  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -41.2 deg C
    BP  (exp database):  146 deg C
    VP  (exp database):  5.61E+00 mm Hg (7.48E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.122e+004
       log Kow used: 1.21 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2370.3 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 :   1.23E-004  atm-m3/mole  (1.25E+001 Pa-m3/mole)
   Group Method:   2.03E-005  atm-m3/mole  (2.06E+000 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:  5.335E-005 atm-m3/mole  (5.406E+000 Pa-m3/mole)
      VP:   4.83 mm Hg (source: MPBPVP)
      WS:   1.12E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.21  (KowWin est)
  Log Kaw used:  -2.299  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.509
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7027
   Biowin2 (Non-Linear Model)     :   0.8417
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9910  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7118  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5308
   Biowin6 (MITI Non-Linear Model):   0.6605
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8881
 Ready Biodegradability Prediction:   YES

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  748 Pa (5.61 mm Hg)
  Log Koa (Koawin est  ): 3.509
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.01E-009 
       Octanol/air (Koa) model:  7.93E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.45E-007 
       Mackay model           :  3.21E-007 
       Octanol/air (Koa) model:  6.34E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  82.9216 E-12 cm3/molecule-sec
      Half-Life =     0.129 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.548 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.33E-007 (Junge-Pankow, Mackay avg)
      6.34E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  39.6  L/kg (MCI method)
      Log Koc:  1.598       (MCI method)
      Koc    :  11.21  L/kg (Kow method)
      Log Koc:  1.050       (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 = 0.466 (BCF = 2.924 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3580 days (HL = 0.04385 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.288 (BCF = 1.939)
   Log BAF Arnot-Gobas method (upper trophic) = 0.288 (BAF = 1.939)
       log Kow used: 1.21 (estimated)

 Volatilization from Water:
    Henry LC:  2.03E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      28.98  hours   (1.208 days)
    Half-Life from Model Lake :      397.5  hours   (16.56 days)

 Removal In Wastewater Treatment:
    Total removal:               3.01  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  percent
    Total to Air:                1.11  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.422           3.1          1000       
   Water     31.9            360          1000       
   Soil      67.6            720          1000       
   Sediment  0.111           3.24e+003    0          
     Persistence Time: 389 hr