CAS Num: 067952-59-4
SMILES : n(c(SC)c(nc1)C(C)C)c1
CHEM   : Pyrazine, 2-(1-methylethyl)-3-(methylthio)-
MOL FOR: C8 H12 N2 S1 
MOL WT : 168.26
------------------------------ 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) =  2.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  251.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  58.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0124  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.65  (Modified Grain method)
    Subcooled liquid VP: 0.025 mm Hg (25 deg C, Mod-Grain method)
                       : 3.34 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  425.8
       log Kow used: 2.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5405.4 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.44E-006  atm-m3/mole  (6.52E-001 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:  6.447E-006 atm-m3/mole  (6.533E-001 Pa-m3/mole)
      VP:   0.0124 mm Hg (source: MPBPVP)
      WS:   426 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.54  (KowWin est)
  Log Kaw used:  -3.580  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.120
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7221
   Biowin2 (Non-Linear Model)     :   0.7679
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7525  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5365  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2195
   Biowin6 (MITI Non-Linear Model):   0.1454
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3251
 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):  3.33 Pa (0.025 mm Hg)
  Log Koa (Koawin est  ): 6.120
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9E-007 
       Octanol/air (Koa) model:  3.24E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.25E-005 
       Mackay model           :  7.2E-005 
       Octanol/air (Koa) model:  2.59E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.1197 E-12 cm3/molecule-sec
      Half-Life =     2.089 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    25.070 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.23E-005 (Junge-Pankow, Mackay avg)
      2.59E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  551.9  L/kg (MCI method)
      Log Koc:  2.742       (MCI method)
      Koc    :  535.1  L/kg (Kow method)
      Log Koc:  2.728       (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 = 1.342 (BCF = 21.97 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2052 days (HL = 0.6235 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.508 (BCF = 32.22)
   Log BAF Arnot-Gobas method (upper trophic) = 1.508 (BAF = 32.22)
       log Kow used: 2.54 (estimated)

 Volatilization from Water:
    Henry LC:  6.44E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      119.3  hours   (4.969 days)
    Half-Life from Model Lake :       1410  hours   (58.74 days)

 Removal In Wastewater Treatment:
    Total removal:               3.56  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.10  percent
    Total to Air:                0.36  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.91            50.1         1000       
   Water     24.4            360          1000       
   Soil      72.2            720          1000       
   Sediment  0.52            3.24e+003    0          
     Persistence Time: 476 hr