CAS Num: 002044-73-7
SMILES : n(c(ccc1)CS)c1
CHEM   : 2-Pyridinemethanethiol
MOL FOR: C6 H7 N1 S1 
MOL WT : 125.19
------------------------------ 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) =  1.30

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  209.37  (Adapted Stein & Brown method)
    Melting Pt (deg C):  13.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.225  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  30  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.499e+005
       log Kow used: 1.30 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  29154 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Thiols and Mercaptans
       Benzyl Thiols 

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.76E-007  atm-m3/mole  (2.80E-002 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:  2.473E-007 atm-m3/mole  (2.505E-002 Pa-m3/mole)
      VP:   0.225 mm Hg (source: MPBPVP)
      WS:   1.5E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.30  (KowWin est)
  Log Kaw used:  -4.948  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.248
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5334
   Biowin2 (Non-Linear Model)     :   0.3996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7083  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6484  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2834
   Biowin6 (MITI Non-Linear Model):   0.2328
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0881
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  27.7 Pa (0.208 mm Hg)
  Log Koa (Koawin est  ): 6.248
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.08E-007 
       Octanol/air (Koa) model:  4.35E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.91E-006 
       Mackay model           :  8.65E-006 
       Octanol/air (Koa) model:  3.48E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.7046 E-12 cm3/molecule-sec
      Half-Life =     0.263 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.153 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.28E-006 (Junge-Pankow, Mackay avg)
      3.48E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  219.5  L/kg (MCI method)
      Log Koc:  2.341       (MCI method)
      Koc    :  66.15  L/kg (Kow method)
      Log Koc:  1.821       (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 = 0.522 (BCF = 3.325 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.6330 days (HL = 0.02328 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.259 (BCF = 1.817)
   Log BAF Arnot-Gobas method (upper trophic) = 0.259 (BAF = 1.817)
       log Kow used: 1.30 (estimated)

 Volatilization from Water:
    Henry LC:  2.76E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2375  hours   (98.94 days)
    Half-Life from Model Lake :   2.6E+004  hours   (1083 days)

 Removal In Wastewater Treatment:
    Total removal:               1.94  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.83  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.254           6.31         1000       
   Water     20.5            900          1000       
   Soil      79              1.8e+003     1000       
   Sediment  0.261           8.1e+003     0          
     Persistence Time: 1.03e+003 hr