CAS Num: 003489-28-9
SMILES : SCCCCCCCCCS
CHEM   : 1,9-Nonanedithiol
MOL FOR: C9 H20 S2 
MOL WT : 192.38
------------------------------ 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) =  4.65

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  275.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  19.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00664  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.886  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.124
       log Kow used: 4.65 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.84299 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 :   8.95E-004  atm-m3/mole  (9.06E+001 Pa-m3/mole)
   Group Method:   2.28E-004  atm-m3/mole  (2.31E+001 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:  3.280E-004 atm-m3/mole  (3.324E+001 Pa-m3/mole)
      VP:   0.00664 mm Hg (source: MPBPVP)
      WS:   5.12 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.65  (KowWin est)
  Log Kaw used:  -1.437  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.087
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6560
   Biowin2 (Non-Linear Model)     :   0.5688
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7740  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5702  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5846
   Biowin6 (MITI Non-Linear Model):   0.6979
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0700
 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):  0.923 Pa (0.00692 mm Hg)
  Log Koa (Koawin est  ): 6.087
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.25E-006 
       Octanol/air (Koa) model:  3E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000117 
       Mackay model           :  0.00026 
       Octanol/air (Koa) model:  2.4E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  92.8129 E-12 cm3/molecule-sec
      Half-Life =     0.115 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.383 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000189 (Junge-Pankow, Mackay avg)
      2.4E-005 (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    :  1.085E+004  L/kg (Kow method)
      Log Koc:  4.035       (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 = 1.360 (BCF = 22.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3840 days (HL = 0.4131 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.227 (BCF = 168.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.227 (BAF = 168.6)
       log Kow used: 4.65 (estimated)

 Volatilization from Water:
    Henry LC:  0.000228 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      4.977  hours
    Half-Life from Model Lake :      170.6  hours   (7.108 days)

 Removal In Wastewater Treatment:
    Total removal:              65.56  percent
    Total biodegradation:        0.55  percent
    Total sludge adsorption:    61.65  percent
    Total to Air:                3.36  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.389           2.76         1000       
   Water     18.9            360          1000       
   Soil      79.2            720          1000       
   Sediment  1.59            3.24e+003    0          
     Persistence Time: 429 hr