CAS Num: 000111-31-9
SMILES : SCCCCCC
CHEM   : 1-Hexanethiol
MOL FOR: C6 H14 S1 
MOL WT : 118.24
------------------------------ 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) =  3.23

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  153.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -51.82  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.83  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  510  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -81 deg C
    BP  (exp database):  151 deg C
    VP  (exp database):  4.20E+00 mm Hg (5.60E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  177.1
       log Kow used: 3.23 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  84.805 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 :   1.08E-002  atm-m3/mole  (1.09E+003 Pa-m3/mole)
   Group Method:   1.17E-002  atm-m3/mole  (1.19E+003 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:  3.365E-003 atm-m3/mole  (3.409E+002 Pa-m3/mole)
      VP:   3.83 mm Hg (source: MPBPVP)
      WS:   177 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.23  (KowWin est)
  Log Kaw used:  -0.355  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.585
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7997
   Biowin2 (Non-Linear Model)     :   0.9598
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2362  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9462  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6079
   Biowin6 (MITI Non-Linear Model):   0.7823
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5687
 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):  560 Pa (4.2 mm Hg)
  Log Koa (Koawin est  ): 3.585
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.36E-009 
       Octanol/air (Koa) model:  9.44E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.93E-007 
       Mackay model           :  4.29E-007 
       Octanol/air (Koa) model:  7.55E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  47.0160 E-12 cm3/molecule-sec
      Half-Life =     0.227 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.730 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.11E-007 (Junge-Pankow, Mackay avg)
      7.55E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  239.7  L/kg (MCI method)
      Log Koc:  2.380       (MCI method)
      Koc    :  635.2  L/kg (Kow method)
      Log Koc:  2.803       (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 = 1.799 (BCF = 62.99 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4469 days (HL = 0.3574 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.910 (BCF = 81.28)
   Log BAF Arnot-Gobas method (upper trophic) = 1.910 (BAF = 81.28)
       log Kow used: 3.23 (estimated)

 Volatilization from Water:
    Henry LC:  0.0117 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.164  hours
    Half-Life from Model Lake :      103.9  hours   (4.328 days)

 Removal In Wastewater Treatment:
    Total removal:              82.67  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     4.76  percent
    Total to Air:               77.87  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.34            5.46         1000       
   Water     58.4            360          1000       
   Soil      35.6            720          1000       
   Sediment  0.639           3.24e+003    0          
     Persistence Time: 107 hr