CAS Num: 007341-17-5
SMILES : SCC(CCCC)CC
CHEM   : 1-Hexanethiol, 2-ethyl-
MOL FOR: C8 H18 S1 
MOL WT : 146.29
------------------------------ 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) =  4.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  182.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -39.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.843  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  112  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  22.93
       log Kow used: 4.14 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14.828 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 :   1.90E-002  atm-m3/mole  (1.92E+003 Pa-m3/mole)
   Group Method:   2.81E-002  atm-m3/mole  (2.85E+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:  7.077E-003 atm-m3/mole  (7.170E+002 Pa-m3/mole)
      VP:   0.843 mm Hg (source: MPBPVP)
      WS:   22.9 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.14  (KowWin est)
  Log Kaw used:  -0.110  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.250
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7863
   Biowin2 (Non-Linear Model)     :   0.9413
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1742  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9057  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4741
   Biowin6 (MITI Non-Linear Model):   0.5960
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3233
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  102 Pa (0.766 mm Hg)
  Log Koa (Koawin est  ): 4.250
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.94E-008 
       Octanol/air (Koa) model:  4.37E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.06E-006 
       Mackay model           :  2.35E-006 
       Octanol/air (Koa) model:  3.49E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  50.5292 E-12 cm3/molecule-sec
      Half-Life =     0.212 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.540 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.71E-006 (Junge-Pankow, Mackay avg)
      3.49E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  733.5  L/kg (MCI method)
      Log Koc:  2.865       (MCI method)
      Koc    :  3915  L/kg (Kow method)
      Log Koc:  3.593       (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 = 2.399 (BCF = 250.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1857 days (HL = 0.6521 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.365 (BCF = 231.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.365 (BAF = 232)
       log Kow used: 4.14 (estimated)

 Volatilization from Water:
    Henry LC:  0.0281 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.259  hours
    Half-Life from Model Lake :      115.2  hours   (4.798 days)

 Removal In Wastewater Treatment:
    Total removal:              93.16  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:    22.93  percent
    Total to Air:               70.12  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.62            5.08         1000       
   Water     54              360          1000       
   Soil      39.9            720          1000       
   Sediment  1.46            3.24e+003    0          
     Persistence Time: 114 hr