CAS Num: 015987-00-5
SMILES : n(c(c(nc1)CCCC)C)c1
CHEM   : Pyrazine, 2-butyl-3-methyl-
MOL FOR: C9 H14 N2 
MOL WT : 150.23
------------------------------ 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) =  2.51
    Log Kow (Exper. database match) =  2.10
       Exper. Ref:  YAMAGAMI,C ET AL. (1991)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  228.44  (Adapted Stein & Brown method)
    Melting Pt (deg C):  39.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0586  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.82  (Modified Grain method)
    Subcooled liquid VP: 0.0798 mm Hg (25 deg C, Mod-Grain method)
                       : 10.6 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1218
       log Kow used: 2.10 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2219.5 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.32E-006  atm-m3/mole  (8.43E-001 Pa-m3/mole)
   Group Method:   3.97E-008  atm-m3/mole  (4.02E-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:  9.510E-006 atm-m3/mole  (9.636E-001 Pa-m3/mole)
      VP:   0.0586 mm Hg (source: MPBPVP)
      WS:   1.22E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.10  (exp database)
  Log Kaw used:  -3.468  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.568
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8938
   Biowin2 (Non-Linear Model)     :   0.9796
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0158  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7630  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3667
   Biowin6 (MITI Non-Linear Model):   0.3752
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1937
 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):  10.6 Pa (0.0798 mm Hg)
  Log Koa (Koawin est  ): 5.568
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.82E-007 
       Octanol/air (Koa) model:  9.08E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.02E-005 
       Mackay model           :  2.26E-005 
       Octanol/air (Koa) model:  7.26E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.7455 E-12 cm3/molecule-sec
      Half-Life =     2.254 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.047 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.64E-005 (Junge-Pankow, Mackay avg)
      7.26E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  614.4  L/kg (MCI method)
      Log Koc:  2.788       (MCI method)
      Koc    :  305.6  L/kg (Kow method)
      Log Koc:  2.485       (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 = 1.053 (BCF = 11.29 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4841 days (HL = 0.328 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.093 (BCF = 12.38)
   Log BAF Arnot-Gobas method (upper trophic) = 1.093 (BAF = 12.38)
       log Kow used: 2.10 (expkow database)

 Volatilization from Water:
    Henry LC:  8.32E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       87.5  hours   (3.646 days)
    Half-Life from Model Lake :       1057  hours   (44.06 days)

 Removal In Wastewater Treatment:
    Total removal:               2.80  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.24  percent
    Total to Air:                0.46  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.07            54.1         1000       
   Water     24.2            360          1000       
   Soil      72.2            720          1000       
   Sediment  0.565           3.24e+003    0          
     Persistence Time: 475 hr