CAS Num: 029460-92-2
SMILES : CC(C)Cc1cnccn1
CHEM   : Pyrazine, isobutyl-
MOL FOR: C8 H12 N2 
MOL WT : 136.20
------------------------------ 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) =  1.89

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  197.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.408  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  54.5  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2123
       log Kow used: 1.89 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11306 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.54E-006  atm-m3/mole  (7.64E-001 Pa-m3/mole)
   Group Method:   3.46E-008  atm-m3/mole  (3.50E-003 Pa-m3/mole)
   Exper Database: 4.89E-06  atm-m3/mole  (4.95E-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:  3.444E-005 atm-m3/mole  (3.490E+000 Pa-m3/mole)
      VP:   0.408 mm Hg (source: MPBPVP)
      WS:   2.12E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.89  (KowWin est)
  Log Kaw used:  -3.699  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.589
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7374
   Biowin2 (Non-Linear Model)     :   0.8391
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8233  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5827  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2261
   Biowin6 (MITI Non-Linear Model):   0.2260
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1030
 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):  49.7 Pa (0.373 mm Hg)
  Log Koa (Koawin est  ): 5.589
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.03E-008 
       Octanol/air (Koa) model:  9.53E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.18E-006 
       Mackay model           :  4.83E-006 
       Octanol/air (Koa) model:  7.62E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.4411 E-12 cm3/molecule-sec
      Half-Life =     2.408 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    28.901 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.5E-006 (Junge-Pankow, Mackay avg)
      7.62E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  315.7  L/kg (MCI method)
      Log Koc:  2.499       (MCI method)
      Koc    :  233.9  L/kg (Kow method)
      Log Koc:  2.369       (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 = 0.912 (BCF = 8.17 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3666 days (HL = 0.4299 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.923 (BCF = 8.372)
   Log BAF Arnot-Gobas method (upper trophic) = 0.923 (BAF = 8.372)
       log Kow used: 1.89 (estimated)

 Volatilization from Water:
    Henry LC:  4.89E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      140.9  hours   (5.872 days)
    Half-Life from Model Lake :       1635  hours   (68.13 days)

 Removal In Wastewater Treatment:
    Total removal:               2.43  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.06  percent
    Total to Air:                0.27  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.13            57.8         1000       
   Water     24.9            360          1000       
   Soil      71.6            720          1000       
   Sediment  0.338           3.24e+003    0          
     Persistence Time: 475 hr