CAS Num: 000074-93-1
SMILES : SC
CHEM   : Methanethiol
MOL FOR: C1 H4 S1 
MOL WT : 48.10
------------------------------ 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) =  0.78

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  32.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -115.32  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.51E+003  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.02E+005  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -123 deg C
    BP  (exp database):  5.9 deg C
    VP  (exp database):  1.51E+03 mm Hg (2.01E+005 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.918e+004
       log Kow used: 0.78 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.54e+004 mg/L (25 deg C)
        Exper. Ref:  HINE,J & MOOKERJEE,PK (1975)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16708 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 :   2.61E-003  atm-m3/mole  (2.65E+002 Pa-m3/mole)
   Group Method:   2.81E-003  atm-m3/mole  (2.85E+002 Pa-m3/mole)
   Exper Database: 3.12E-03  atm-m3/mole  (3.16E+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:  1.648E-003 atm-m3/mole  (1.670E+002 Pa-m3/mole)
      VP:   1.51E+003 mm Hg (source: MPBPVP)
      WS:   2.92E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.78  (KowWin est)
  Log Kaw used:  -0.894  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.674
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7246
   Biowin2 (Non-Linear Model)     :   0.9110
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0929  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7783  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5694
   Biowin6 (MITI Non-Linear Model):   0.7607
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 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):  2.01E+005 Pa (1.51E+003 mm Hg)
  Log Koa (Koawin est  ): 1.674
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.49E-011 
       Octanol/air (Koa) model:  1.16E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.38E-010 
       Mackay model           :  1.19E-009 
       Octanol/air (Koa) model:  9.27E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.5608 E-12 cm3/molecule-sec
      Half-Life =     0.319 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.824 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      8.65E-010 (Junge-Pankow, Mackay avg)
      9.27E-010 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  13.22  L/kg (MCI method)
      Log Koc:  1.121       (MCI method)
      Koc    :  4.749  L/kg (Kow method)
      Log Koc:  0.677       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1768 days (HL = 0.06656 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.130 (BCF = 1.35)
   Log BAF Arnot-Gobas method (upper trophic) = 0.130 (BAF = 1.35)
       log Kow used: 0.78 (estimated)

 Volatilization from Water:
    Henry LC:  0.00312 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.8379  hours   (50.27 min)
    Half-Life from Model Lake :      67.29  hours   (2.804 days)

 Removal In Wastewater Treatment:
    Total removal:              55.94  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     0.94  percent
    Total to Air:               54.95  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.07            7.8          1000       
   Water     73              360          1000       
   Soil      17.7            720          1000       
   Sediment  0.174           3.24e+003    0          
     Persistence Time: 88.7 hr