CAS Num: 015986-80-8
SMILES : n(c(c(nc1)CCC)C)c1
CHEM   : Pyrazine, 2-methyl-3-propyl-
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) =  2.02
    Log Kow (Exper. database match) =  1.57
       Exper. Ref:  YAMAGAMI,C ET AL. (1991)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  209.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  28.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.526  (Modified Grain method)
    VP (Pa, 25 deg C) :  70.1  (Modified Grain method)
    BP  (exp database):  189 deg C
    Subcooled liquid VP: 0.566 mm Hg (25 deg C, Mod-Grain method)
                       : 75.5 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3962
       log Kow used: 1.57 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6929.6 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.26E-006  atm-m3/mole  (6.35E-001 Pa-m3/mole)
   Group Method:   2.81E-008  atm-m3/mole  (2.85E-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:  2.379E-005 atm-m3/mole  (2.411E+000 Pa-m3/mole)
      VP:   0.526 mm Hg (source: MPBPVP)
      WS:   3.96E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.57  (exp database)
  Log Kaw used:  -3.592  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.162
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7920
   Biowin2 (Non-Linear Model)     :   0.9028
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7485  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5142  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3590
   Biowin6 (MITI Non-Linear Model):   0.3695
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0981
 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):  75.5 Pa (0.566 mm Hg)
  Log Koa (Koawin est  ): 5.162
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.98E-008 
       Octanol/air (Koa) model:  3.56E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.44E-006 
       Mackay model           :  3.18E-006 
       Octanol/air (Koa) model:  2.85E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.3324 E-12 cm3/molecule-sec
      Half-Life =     3.210 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    38.516 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.31E-006 (Junge-Pankow, Mackay avg)
      2.85E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  337.1  L/kg (MCI method)
      Log Koc:  2.528       (MCI method)
      Koc    :  155.6  L/kg (Kow method)
      Log Koc:  2.192       (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 = 0.703 (BCF = 5.045 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6693 days (HL = 0.2141 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.635 (BCF = 4.318)
   Log BAF Arnot-Gobas method (upper trophic) = 0.635 (BAF = 4.318)
       log Kow used: 1.57 (expkow database)

 Volatilization from Water:
    Henry LC:  6.26E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      110.3  hours   (4.598 days)
    Half-Life from Model Lake :       1302  hours   (54.23 days)

 Removal In Wastewater Treatment:
    Total removal:               2.34  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.90  percent
    Total to Air:                0.35  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.73            77           1000       
   Water     19.5            900          1000       
   Soil      78.4            1.8e+003     1000       
   Sediment  0.368           8.1e+003     0          
     Persistence Time: 1.02e+003 hr