CAS Number: 66427-22-3
SMILES : CCCCCC(C(CCCC)S)O
CHEM   : 
MOL FOR: C11 H24 O1 S1 
MOL WT : 204.37
------------------------------ 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) =  4.08
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  287.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  19.48  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000294  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0392  (Modified Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  13.75
       log Kow used: 4.08 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20.652 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 :   1.62E-006  atm-m3/mole  (1.65E-001 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:  5.750E-006 atm-m3/mole  (5.826E-001 Pa-m3/mole)
      VP:   0.000294 mm Hg (source: MPBPVP)
      WS:   13.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.08  (KowWin est)
  Log Kaw used:  -4.179  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.259
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0258
   Biowin2 (Non-Linear Model)     :   0.9927
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5042  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2205  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5107
   Biowin6 (MITI Non-Linear Model):   0.6167
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0245
 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):  0.0392 Pa (0.000294 mm Hg)
  Log Koa (Koawin est  ): 8.259
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.65E-005 
       Octanol/air (Koa) model:  4.46E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00276 
       Mackay model           :  0.00609 
       Octanol/air (Koa) model:  0.00355 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  75.5032 E-12 cm3/molecule-sec
      Half-Life =     0.142 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.700 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00442 (Junge-Pankow, Mackay avg)
      0.00355 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  334  L/kg (MCI method)
      Log Koc:  2.524       (MCI method)
      Koc    :  589.4  L/kg (Kow method)
      Log Koc:  2.770       (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 = 0.982 (BCF = 9.586 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5249 days (HL = 0.2986 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.062 (BCF = 115.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.062 (BAF = 115.5)
       log Kow used: 4.08 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.62E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      518.1  hours   (21.59 days)
    Half-Life from Model Lake :       5772  hours   (240.5 days)
 
 Removal In Wastewater Treatment:
    Total removal:              33.90  percent
    Total biodegradation:        0.35  percent
    Total sludge adsorption:    33.49  percent
    Total to Air:                0.06  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.56            3.4          1000       
   Water     28.1            208          1000       
   Soil      71              416          1000       
   Sediment  0.308           1.87e+003    0          
     Persistence Time: 278 hr