CAS Num: 005332-52-5
SMILES : SCCCCCCCCCCC
CHEM   : 1-UNDECANETHIOL
MOL FOR: C11 H24 S1 
MOL WT : 188.37
------------------------------ 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) =  5.69

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  251.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  5.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0183  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.44  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -3 deg C
    BP  (exp database):  257.4 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.6963
       log Kow used: 5.69 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.27899 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 :   4.44E-002  atm-m3/mole  (4.50E+003 Pa-m3/mole)
   Group Method:   6.58E-002  atm-m3/mole  (6.67E+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:  6.514E-003 atm-m3/mole  (6.600E+002 Pa-m3/mole)
      VP:   0.0183 mm Hg (source: MPBPVP)
      WS:   0.696 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.69  (KowWin est)
  Log Kaw used:  0.259  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.431
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7663
   Biowin2 (Non-Linear Model)     :   0.8982
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0812  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8450  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6463
   Biowin6 (MITI Non-Linear Model):   0.8025
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6987
 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):  2.43 Pa (0.0182 mm Hg)
  Log Koa (Koawin est  ): 5.431
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.24E-006 
       Octanol/air (Koa) model:  6.62E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.47E-005 
       Mackay model           :  9.89E-005 
       Octanol/air (Koa) model:  5.3E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  54.0813 E-12 cm3/molecule-sec
      Half-Life =     0.198 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.373 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.18E-005 (Junge-Pankow, Mackay avg)
      5.3E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4818  L/kg (MCI method)
      Log Koc:  3.683       (MCI method)
      Koc    :  8.669E+004  L/kg (Kow method)
      Log Koc:  4.938       (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 = 2.045 (BCF = 110.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2489 days (HL = 1.774 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.822 (BCF = 663.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.854 (BAF = 715.1)
       log Kow used: 5.69 (estimated)

 Volatilization from Water:
    Henry LC:  0.0658 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.413  hours
    Half-Life from Model Lake :      130.5  hours   (5.437 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.02  percent
    Total biodegradation:        0.35  percent
    Total sludge adsorption:    66.91  percent
    Total to Air:               29.76  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.59            4.75         1000       
   Water     34.9            360          1000       
   Soil      57.4            720          1000       
   Sediment  5.06            3.24e+003    0          
     Persistence Time: 178 hr