CAS Num: 001455-21-6
SMILES : SCCCCCCCCC
CHEM   : 1-Nonanethiol
MOL FOR: C9 H20 S1 
MOL WT : 160.32
------------------------------ 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) =  4.70

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  214.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -16.88  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.131  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  17.5  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -20.1 deg C
    BP  (exp database):  220 deg C
    VP  (exp database):  1.32E-01 mm Hg (1.76E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.543
       log Kow used: 4.70 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.8157 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 :   2.52E-002  atm-m3/mole  (2.55E+003 Pa-m3/mole)
   Group Method:   3.30E-002  atm-m3/mole  (3.34E+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:  4.223E-003 atm-m3/mole  (4.279E+002 Pa-m3/mole)
      VP:   0.131 mm Hg (source: MPBPVP)
      WS:   6.54 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.70  (KowWin est)
  Log Kaw used:  0.013  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.687
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7797
   Biowin2 (Non-Linear Model)     :   0.9293
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1432  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8855  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6309
   Biowin6 (MITI Non-Linear Model):   0.7946
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6467
 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):  17.6 Pa (0.132 mm Hg)
  Log Koa (Koawin est  ): 4.687
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.7E-007 
       Octanol/air (Koa) model:  1.19E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.16E-006 
       Mackay model           :  1.36E-005 
       Octanol/air (Koa) model:  9.55E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.2552 E-12 cm3/molecule-sec
      Half-Life =     0.209 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.504 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.9E-006 (Junge-Pankow, Mackay avg)
      9.55E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1451  L/kg (MCI method)
      Log Koc:  3.162       (MCI method)
      Koc    :  1.199E+004  L/kg (Kow method)
      Log Koc:  4.079       (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 = 1.397 (BCF = 24.95 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0294 days (HL = 0.9345 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.562 (BCF = 364.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.563 (BAF = 365.4)
       log Kow used: 4.70 (estimated)

 Volatilization from Water:
    Henry LC:  0.033 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.315  hours
    Half-Life from Model Lake :      120.5  hours   (5.021 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.23  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    43.44  percent
    Total to Air:               51.61  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.63            5.01         1000       
   Water     44.2            360          1000       
   Soil      50              720          1000       
   Sediment  2.16            3.24e+003    0          
     Persistence Time: 140 hr