CAS Number: 
SMILES : CC=Cc1ccncc1
CHEM   : 4-[(1E)-1-propen-1-yl]pyridine
MOL FOR: C8 H9 N1 
MOL WT : 119.17
------------------------------ 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) =  2.12
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  186.20  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -2.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.714  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  95.1  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1567
       log Kow used: 2.12 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20750 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.67E-006  atm-m3/mole  (5.74E-001 Pa-m3/mole)
   Group Method:   3.08E-006  atm-m3/mole  (3.12E-001 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:  7.145E-005 atm-m3/mole  (7.239E+000 Pa-m3/mole)
      VP:   0.714 mm Hg (source: MPBPVP)
      WS:   1.57E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.12  (KowWin est)
  Log Kaw used:  -3.635  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.755
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5362
   Biowin2 (Non-Linear Model)     :   0.4203
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7217  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6571  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3698
   Biowin6 (MITI Non-Linear Model):   0.3063
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8688
 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):  86.5 Pa (0.649 mm Hg)
  Log Koa (Koawin est  ): 5.755
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.47E-008 
       Octanol/air (Koa) model:  1.4E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.25E-006 
       Mackay model           :  2.77E-006 
       Octanol/air (Koa) model:  1.12E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  56.8839 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  64.4839 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.256 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.990 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      2.01E-006 (Junge-Pankow, Mackay avg)
      1.12E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  400  L/kg (MCI method)
      Log Koc:  2.602       (MCI method)
      Koc    :  188  L/kg (Kow method)
      Log Koc:  2.274       (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 = 1.065 (BCF = 11.62 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5852 days (HL = 0.2599 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.093 (BCF = 12.4)
   Log BAF Arnot-Gobas method (upper trophic) = 1.093 (BAF = 12.4)
       log Kow used: 2.12 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.08E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      208.6  hours   (8.693 days)
    Half-Life from Model Lake :       2367  hours   (98.64 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.54  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.27  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       0.102           2.13         1000       
   Water     19.6            900          1000       
   Soil      79.9            1.8e+003     1000       
   Sediment  0.435           8.1e+003     0          
     Persistence Time: 1e+003 hr