CAS Num: 000075-08-1
SMILES : SCC
CHEM   : Ethanethiol
MOL FOR: C2 H6 S1 
MOL WT : 62.13
------------------------------ 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) =  1.27

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  58.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -102.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  520  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  6.94E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -147.8 deg C
    BP  (exp database):  35.1 deg C
    VP  (exp database):  5.29E+02 mm Hg (7.05E+004 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.134e+004
       log Kow used: 1.27 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.56e+004 mg/L (25 deg C)
        Exper. Ref:  WAKITA,K ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6266.7 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 :   3.47E-003  atm-m3/mole  (3.52E+002 Pa-m3/mole)
   Group Method:   2.94E-003  atm-m3/mole  (2.98E+002 Pa-m3/mole)
   Exper Database: 4.53E-03  atm-m3/mole  (4.59E+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:  3.749E-003 atm-m3/mole  (3.798E+002 Pa-m3/mole)
      VP:   520 mm Hg (source: MPBPVP)
      WS:   1.13E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.27  (KowWin est)
  Log Kaw used:  -0.732  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.002
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7180
   Biowin2 (Non-Linear Model)     :   0.8934
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0619  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7581  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5771
   Biowin6 (MITI Non-Linear Model):   0.7651
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7825
 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):  7.05E+004 Pa (529 mm Hg)
  Log Koa (Koawin est  ): 2.002
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.25E-011 
       Octanol/air (Koa) model:  2.47E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.54E-009 
       Mackay model           :  3.4E-009 
       Octanol/air (Koa) model:  1.97E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  39.9525 E-12 cm3/molecule-sec
      Half-Life =     0.268 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.213 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.47E-009 (Junge-Pankow, Mackay avg)
      1.97E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  21.73  L/kg (MCI method)
      Log Koc:  1.337       (MCI method)
      Koc    :  12.64  L/kg (Kow method)
      Log Koc:  1.102       (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 = 0.503 (BCF = 3.185 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0376 days (HL = 0.09171 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.378 (BCF = 2.389)
   Log BAF Arnot-Gobas method (upper trophic) = 0.378 (BAF = 2.389)
       log Kow used: 1.27 (estimated)

 Volatilization from Water:
    Henry LC:  0.00453 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.9062  hours   (54.37 min)
    Half-Life from Model Lake :      75.98  hours   (3.166 days)

 Removal In Wastewater Treatment:
    Total removal:              64.50  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     0.85  percent
    Total to Air:               63.61  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.95            5.48         1000       
   Water     75.5            360          1000       
   Soil      17.3            720          1000       
   Sediment  0.207           3.24e+003    0          
     Persistence Time: 84.4 hr