CAS Number: 18903-30-5
SMILES : Cc1nc(CC)c(C)nc1CC
CHEM   : 2,5-diethyl-3,6-dimethylpyrazine
MOL FOR: C10 H16 N2 
MOL WT : 164.25
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.11
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  246.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  56.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0161  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.15  (Modified Grain method)
    Subcooled liquid VP: 0.0318 mm Hg (25 deg C, Mod-Grain method)
                       : 4.23 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  144
       log Kow used: 3.11 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  743.58 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.63E-006  atm-m3/mole  (7.73E-001 Pa-m3/mole)
   Group Method:   5.87E-008  atm-m3/mole  (5.95E-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:  2.416E-005 atm-m3/mole  (2.448E+000 Pa-m3/mole)
      VP:   0.0161 mm Hg (source: MPBPVP)
      WS:   144 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.11  (KowWin est)
  Log Kaw used:  -3.506  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.616
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8880
   Biowin2 (Non-Linear Model)     :   0.9519
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5368  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3366  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1958
   Biowin6 (MITI Non-Linear Model):   0.1404
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3102
 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):  4.24 Pa (0.0318 mm Hg)
  Log Koa (Koawin est  ): 6.616
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.08E-007 
       Octanol/air (Koa) model:  1.01E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.56E-005 
       Mackay model           :  5.66E-005 
       Octanol/air (Koa) model:  8.11E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.7028 E-12 cm3/molecule-sec
      Half-Life =     2.274 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.292 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.11E-005 (Junge-Pankow, Mackay avg)
      8.11E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  926.9  L/kg (MCI method)
      Log Koc:  2.967       (MCI method)
      Koc    :  1106  L/kg (Kow method)
      Log Koc:  3.044       (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 = 1.720 (BCF = 52.48 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6468 days (HL = 0.2255 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.742 (BCF = 55.16)
   Log BAF Arnot-Gobas method (upper trophic) = 1.742 (BAF = 55.16)
       log Kow used: 3.11 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.63E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      99.65  hours   (4.152 days)
    Half-Life from Model Lake :       1195  hours   (49.77 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.13  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.59  percent
    Total to Air:                0.41  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.4             54.6         1000       
   Water     17.9            900          1000       
   Soil      79.8            1.8e+003     1000       
   Sediment  0.918           8.1e+003     0          
     Persistence Time: 1.06e+003 hr