CAS Number: 4774-14-5
SMILES : n1c(CL)cncc1CL
CHEM   : 2-Chloro-6-chloro-pyrazine
MOL FOR: C4 H2 CL2 N2 
MOL WT : 148.98
------------------------------ 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) =  1.23
    Log Kow (Exper. database match) =  1.53
       Exper. Ref:  YAMAGAMI,C & TAKAO,N (1991)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  194.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.234  (Modified Grain method)
    VP (Pa, 25 deg C) :  31.2  (Modified Grain method)
    MP  (exp database):  55-58 deg C
    Subcooled liquid VP: 0.443 mm Hg (25 deg C, Mod-Grain method)
                       : 59.1 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3784
       log Kow used: 1.53 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3407.9 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.38E-003  atm-m3/mole  (6.46E+002 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.212E-005 atm-m3/mole  (1.228E+000 Pa-m3/mole)
      VP:   0.234 mm Hg (source: MPBPVP)
      WS:   3.78E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.53  (exp database)
  Log Kaw used:  -0.584  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.114
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3118
   Biowin2 (Non-Linear Model)     :   0.0416
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4567  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3021  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2977
   Biowin6 (MITI Non-Linear Model):   0.1220
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1593
 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):  59.1 Pa (0.443 mm Hg)
  Log Koa (Koawin est  ): 2.114
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.08E-008 
       Octanol/air (Koa) model:  3.19E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.83E-006 
       Mackay model           :  4.06E-006 
       Octanol/air (Koa) model:  2.55E-009 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1138 E-12 cm3/molecule-sec
      Half-Life =    93.975 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.95E-006 (Junge-Pankow, Mackay avg)
      2.55E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  95.04  L/kg (MCI method)
      Log Koc:  1.978       (MCI method)
      Koc    :  147.8  L/kg (Kow method)
      Log Koc:  2.170       (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 = 0.676 (BCF = 4.748 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1604 days (HL = 0.6912 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.638 (BCF = 4.35)
   Log BAF Arnot-Gobas method (upper trophic) = 0.638 (BAF = 4.35)
       log Kow used: 1.53 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.00638 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.358  hours
    Half-Life from Model Lake :      117.2  hours   (4.881 days)
 
 Removal In Wastewater Treatment:
    Total removal:              71.70  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     0.78  percent
    Total to Air:               70.89  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       41.9            2.26e+003    1000       
   Water     41.4            900          1000       
   Soil      16.5            1.8e+003     1000       
   Sediment  0.268           8.1e+003     0          
     Persistence Time: 196 hr