CAS Num: 000143-10-2
SMILES : SCCCCCCCCCC
CHEM   : 1-Decanethiol
MOL FOR: C10 H22 S1 
MOL WT : 174.35
------------------------------ 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) =  5.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  233.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -5.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0449  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.98  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -26 deg C
    BP  (exp database):  240.6 deg C
    VP  (exp database):  3.67E-02 mm Hg (4.89E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.141
       log Kow used: 5.20 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.8892 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 :   3.35E-002  atm-m3/mole  (3.39E+003 Pa-m3/mole)
   Group Method:   4.66E-002  atm-m3/mole  (4.72E+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:  4.811E-003 atm-m3/mole  (4.875E+002 Pa-m3/mole)
      VP:   0.0449 mm Hg (source: MPBPVP)
      WS:   2.14 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.20  (KowWin est)
  Log Kaw used:  0.137  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.063
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7730
   Biowin2 (Non-Linear Model)     :   0.9150
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1122  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8653  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6386
   Biowin6 (MITI Non-Linear Model):   0.7986
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6727
 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):  4.89 Pa (0.0367 mm Hg)
  Log Koa (Koawin est  ): 5.063
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.13E-007 
       Octanol/air (Koa) model:  2.84E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.21E-005 
       Mackay model           :  4.9E-005 
       Octanol/air (Koa) model:  2.27E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  52.6682 E-12 cm3/molecule-sec
      Half-Life =     0.203 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.437 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.56E-005 (Junge-Pankow, Mackay avg)
      2.27E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2644  L/kg (MCI method)
      Log Koc:  3.422       (MCI method)
      Koc    :  3.256E+004  L/kg (Kow method)
      Log Koc:  4.513       (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 = 1.721 (BCF = 52.61 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1097 days (HL = 1.287 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.706 (BCF = 508.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.712 (BAF = 515.4)
       log Kow used: 5.20 (estimated)

 Volatilization from Water:
    Henry LC:  0.0466 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.364  hours
    Half-Life from Model Lake :      125.6  hours   (5.233 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.73  percent
    Total biodegradation:        0.26  percent
    Total sludge adsorption:    57.62  percent
    Total to Air:               38.84  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.09            4.87         1000       
   Water     39.4            360          1000       
   Soil      54.2            720          1000       
   Sediment  3.31            3.24e+003    0          
     Persistence Time: 157 hr