CAS Num: 000109-79-5
SMILES : SCCCC
CHEM   : 1-Butanethiol
MOL FOR: C4 H10 S1 
MOL WT : 90.18
------------------------------ 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) =  2.25
    Log Kow (Exper. database match) =  2.28
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  107.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -76.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  39.9  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.33E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -115.7 deg C
    BP  (exp database):  98.5 deg C
    VP  (exp database):  4.55E+01 mm Hg (6.07E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1404
       log Kow used: 2.28 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  597 mg/L (20 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  767.06 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 :   6.11E-003  atm-m3/mole  (6.20E+002 Pa-m3/mole)
   Group Method:   5.87E-003  atm-m3/mole  (5.95E+002 Pa-m3/mole)
   Exper Database: 4.54E-03  atm-m3/mole  (4.60E+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:  3.372E-003 atm-m3/mole  (3.417E+002 Pa-m3/mole)
      VP:   39.9 mm Hg (source: MPBPVP)
      WS:   1.4E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.28  (exp database)
  Log Kaw used:  -0.731  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.011
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8130
   Biowin2 (Non-Linear Model)     :   0.9727
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2982  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9867  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5925
   Biowin6 (MITI Non-Linear Model):   0.7738
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5168
 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):  6.07E+003 Pa (45.5 mm Hg)
  Log Koa (Koawin est  ): 3.011
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.95E-010 
       Octanol/air (Koa) model:  2.52E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.79E-008 
       Mackay model           :  3.96E-008 
       Octanol/air (Koa) model:  2.01E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  44.1899 E-12 cm3/molecule-sec
      Half-Life =     0.242 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.905 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.87E-008 (Junge-Pankow, Mackay avg)
      2.01E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  72.17  L/kg (MCI method)
      Log Koc:  1.858       (MCI method)
      Koc    :  95.15  L/kg (Kow method)
      Log Koc:  1.978       (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 = 1.171 (BCF = 14.84 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7158 days (HL = 0.1924 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.195 (BCF = 15.68)
   Log BAF Arnot-Gobas method (upper trophic) = 1.195 (BAF = 15.68)
       log Kow used: 2.28 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00454 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.091  hours
    Half-Life from Model Lake :      91.53  hours   (3.814 days)

 Removal In Wastewater Treatment:
    Total removal:              64.68  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     1.35  percent
    Total to Air:               63.29  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.72            5.03         1000       
   Water     58.2            208          1000       
   Soil      35.9            416          1000       
   Sediment  0.245           1.87e+003    0          
     Persistence Time: 86.5 hr