CAS Number: 100-69-6
SMILES : n(c(ccc1)C=C)c1
CHEM   : Pyridine, 2-ethenyl-
MOL FOR: C7 H7 N1 
MOL WT : 105.14
------------------------------ 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) =  1.71
    Log Kow (Exper. database match) =  1.54
       Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  156.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -15.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.57  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  343  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  159.5 deg C
    VP  (exp database):  2.78E+00 mm Hg (3.71E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5460
       log Kow used: 1.54 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.75e+004 mg/L (20 deg C)
        Exper. Ref:  GOE,GL (1982)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  29487 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.62E-006  atm-m3/mole  (3.66E-001 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.40E-05  atm-m3/mole  (1.42E+000 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:  6.512E-005 atm-m3/mole  (6.598E+000 Pa-m3/mole)
      VP:   2.57 mm Hg (source: MPBPVP)
      WS:   5.46E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.54  (exp database)
  Log Kaw used:  -3.242  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.782
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5429
   Biowin2 (Non-Linear Model)     :   0.4694
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7527  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6773  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4173
   Biowin6 (MITI Non-Linear Model):   0.4005
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8749
 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):  371 Pa (2.78 mm Hg)
  Log Koa (Koawin est  ): 4.782
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.09E-009 
       Octanol/air (Koa) model:  1.49E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.92E-007 
       Mackay model           :  6.47E-007 
       Octanol/air (Koa) model:  1.19E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.6479 E-12 cm3/molecule-sec
      Half-Life =     0.401 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.817 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec
      Half-Life =     0.546 Days (at 7E11 mol/cm3)
      Half-Life =     13.097 Hrs
   Fraction sorbed to airborne particulates (phi):
      4.7E-007 (Junge-Pankow, Mackay avg)
      1.19E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  219.5  L/kg (MCI method)
      Log Koc:  2.341       (MCI method)
      Koc    :  89.8  L/kg (Kow method)
      Log Koc:  1.953       (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 = 0.683 (BCF = 4.82 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8734 days (HL = 0.1338 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.586 (BCF = 3.856)
   Log BAF Arnot-Gobas method (upper trophic) = 0.586 (BAF = 3.856)
       log Kow used: 1.54 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.4E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      43.93  hours   (1.83 days)
    Half-Life from Model Lake :      565.2  hours   (23.55 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.75  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.88  percent
    Total to Air:                0.78  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.401           3.65         1000       
   Water     25.8            360          1000       
   Soil      73.6            720          1000       
   Sediment  0.264           3.24e+003    0          
     Persistence Time: 442 hr