CAS Number: 1633-97-2
SMILES : SC(C)(C)CCC
CHEM   : 2-PENTANETHIOL, 2-METHYL-
MOL FOR: C6 H14 S1 
MOL WT : 118.24
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  3.12
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  130.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -57.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.72  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.3E+003  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  220.3
       log Kow used: 3.12 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  208.73 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    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:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  6.864E-003 atm-m3/mole  (6.955E+002 Pa-m3/mole)
      VP:   9.72 mm Hg (source: MPBPVP)
      WS:   220 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.12  (KowWin est)
  Log Kaw used:  -0.355  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.475
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5073
   Biowin2 (Non-Linear Model)     :   0.4029
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7258  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5237  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5281
   Biowin6 (MITI Non-Linear Model):   0.6055
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3151
 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):  1.2E+003 Pa (9 mm Hg)
  Log Koa (Koawin est  ): 3.475
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.5E-009 
       Octanol/air (Koa) model:  7.33E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.03E-008 
       Mackay model           :  2E-007 
       Octanol/air (Koa) model:  5.86E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.5637 E-12 cm3/molecule-sec
      Half-Life =     0.301 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.609 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.45E-007 (Junge-Pankow, Mackay avg)
      5.86E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  156.8  L/kg (MCI method)
      Log Koc:  2.195       (MCI method)
      Koc    :  509.9  L/kg (Kow method)
      Log Koc:  2.707       (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 v3.01):
   Log BCF from regression-based method = 1.726 (BCF = 53.21 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3959 days (HL = 0.4019 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.879 (BCF = 75.68)
   Log BAF Arnot-Gobas method (upper trophic) = 1.879 (BAF = 75.68)
       log Kow used: 3.12 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0108 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.169  hours
    Half-Life from Model Lake :      103.9  hours   (4.33 days)
 
 Removal In Wastewater Treatment:
    Total removal:              81.39  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:     3.90  percent
    Total to Air:               77.45  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.75            7.22         1000       
   Water     67.2            900          1000       
   Soil      25.5            1.8e+003     1000       
   Sediment  0.642           8.1e+003     0          
     Persistence Time: 118 hr