CAS Num: 013360-65-1
SMILES : n(c(c(nc1C)CC)C)c1
CHEM   : Pyrazine, 3-ethyl-2,5-dimethyl-
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) =  2.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  209.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  31.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.745  (Modified Grain method)
    VP (Pa, 25 deg C) :  99.3  (Modified Grain method)
    BP  (exp database):  180.5 deg C
    Subcooled liquid VP: 0.856 mm Hg (25 deg C, Mod-Grain method)
                       : 114 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1473
       log Kow used: 2.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7118.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.21E-006  atm-m3/mole  (5.28E-001 Pa-m3/mole)
   Group Method:   2.74E-008  atm-m3/mole  (2.78E-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:  9.064E-005 atm-m3/mole  (9.184E+000 Pa-m3/mole)
      VP:   0.745 mm Hg (source: MPBPVP)
      WS:   1.47E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.07  (KowWin est)
  Log Kaw used:  -3.672  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.742
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8467
   Biowin2 (Non-Linear Model)     :   0.9430
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6736  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4456  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3428
   Biowin6 (MITI Non-Linear Model):   0.3150
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2042
 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):  114 Pa (0.856 mm Hg)
  Log Koa (Koawin est  ): 5.742
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.63E-008 
       Octanol/air (Koa) model:  1.36E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.49E-007 
       Mackay model           :  2.1E-006 
       Octanol/air (Koa) model:  1.08E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.2023 E-12 cm3/molecule-sec
      Half-Life =     3.340 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    40.082 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.53E-006 (Junge-Pankow, Mackay avg)
      1.08E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  296.8  L/kg (MCI method)
      Log Koc:  2.472       (MCI method)
      Koc    :  294.1  L/kg (Kow method)
      Log Koc:  2.469       (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 = 1.035 (BCF = 10.84 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7143 days (HL = 0.1931 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.032 (BCF = 10.76)
   Log BAF Arnot-Gobas method (upper trophic) = 1.032 (BAF = 10.76)
       log Kow used: 2.07 (estimated)

 Volatilization from Water:
    Henry LC:  5.21E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      132.3  hours   (5.514 days)
    Half-Life from Model Lake :       1542  hours   (64.23 days)

 Removal In Wastewater Treatment:
    Total removal:               2.60  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.21  percent
    Total to Air:                0.29  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.75            80.2         1000       
   Water     19.8            900          1000       
   Soil      78.1            1.8e+003     1000       
   Sediment  0.332           8.1e+003     0          
     Persistence Time: 1.02e+003 hr