CAS Num: 000290-37-9
SMILES : n(ccnc1)c1
CHEM   : Pyrazine
MOL FOR: C4 H4 N2 
MOL WT : 80.09
------------------------------ 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) =  -0.06
    Log Kow (Exper. database match) =  -0.26
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  124.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -11.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.66  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.29E+003  (Modified Grain method)
    MP  (exp database):  55 deg C
    BP  (exp database):  115 deg C
    VP  (exp database):  1.08E+01 mm Hg (1.44E+003 Pa) at 25 deg C
    Subcooled liquid VP: 21.4 mm Hg (25 deg C, exp database VP )
                       : 2.85E+003 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.181e+005
       log Kow used: -0.26 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.4309e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.92E-006  atm-m3/mole  (2.96E-001 Pa-m3/mole)
   Group Method:   6.74E-009  atm-m3/mole  (6.83E-004 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:  4.668E-006 atm-m3/mole  (4.729E-001 Pa-m3/mole)
      VP:   9.66 mm Hg (source: MPBPVP)
      WS:   2.18E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.26  (exp database)
  Log Kaw used:  -3.923  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.663
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7094
   Biowin2 (Non-Linear Model)     :   0.8666
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0222  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7322  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5067
   Biowin6 (MITI Non-Linear Model):   0.6669
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4544
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.85E+003 Pa (21.4 mm Hg)
  Log Koa (Koawin est  ): 3.663
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.05E-009 
       Octanol/air (Koa) model:  1.13E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.8E-008 
       Mackay model           :  8.41E-008 
       Octanol/air (Koa) model:  9.04E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.2300 E-12 cm3/molecule-sec
      Half-Life =    46.504 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.1E-008 (Junge-Pankow, Mackay avg)
      9.04E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  36.92  L/kg (MCI method)
      Log Koc:  1.567       (MCI method)
      Koc    :  15.13  L/kg (Kow method)
      Log Koc:  1.180       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7568 days (HL = 0.175 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.025 (BCF = 0.9444)
   Log BAF Arnot-Gobas method (upper trophic) = -0.025 (BAF = 0.9444)
       log Kow used: -0.26 (expkow database)

 Volatilization from Water:
    Henry LC:  2.92E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      180.4  hours   (7.515 days)
    Half-Life from Model Lake :       2043  hours   (85.11 days)

 Removal In Wastewater Treatment:
    Total removal:               2.01  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.17  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.34            1.12e+003    1000       
   Water     30.2            360          1000       
   Soil      63.4            720          1000       
   Sediment  0.102           3.24e+003    0          
     Persistence Time: 461 hr