CAS Num: 125352-06-9
SMILES : CC(CC2c(cccc3)c3CC2)c1ccncc1
CHEM   : Pyridine, 4-ethenyl-, reaction products with 3a,4,7,7a-tetrahydrodime
         thyl-4,7-methano-1H-indene
MOL FOR: C17 H19 N1 
MOL WT : 237.35
------------------------------ 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) =  5.31

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  340.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  106.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.54E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00472  (Modified Grain method)
    Subcooled liquid VP: 0.000221 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0294 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  16.11
       log Kow used: 5.31 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.6383 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.49E-007  atm-m3/mole  (9.62E-002 Pa-m3/mole)
   Group Method:   7.56E-008  atm-m3/mole  (7.66E-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:  6.863E-007 atm-m3/mole  (6.953E-002 Pa-m3/mole)
      VP:   3.54E-005 mm Hg (source: MPBPVP)
      WS:   16.1 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.31  (KowWin est)
  Log Kaw used:  -4.411  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.721
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6440
   Biowin2 (Non-Linear Model)     :   0.4333
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2359  (months      )
   Biowin4 (Primary Survey Model) :   3.2810  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0326
   Biowin6 (MITI Non-Linear Model):   0.0607
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2556
 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):  0.0295 Pa (0.000221 mm Hg)
  Log Koa (Koawin est  ): 9.721
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000102 
       Octanol/air (Koa) model:  0.00129 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00366 
       Mackay model           :  0.00808 
       Octanol/air (Koa) model:  0.0936 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.1928 E-12 cm3/molecule-sec
      Half-Life =     0.754 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.043 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00587 (Junge-Pankow, Mackay avg)
      0.0936 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7.976E+004  L/kg (MCI method)
      Log Koc:  4.902       (MCI method)
      Koc    :  1.093E+004  L/kg (Kow method)
      Log Koc:  4.039       (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 = 3.172 (BCF = 1485 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0316 days (HL = 0.9299 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.569 (BCF = 370.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.573 (BAF = 374.2)
       log Kow used: 5.31 (estimated)

 Volatilization from Water:
    Henry LC:  7.56E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.193E+004  hours   (497.2 days)
    Half-Life from Model Lake : 1.303E+005  hours   (5429 days)

 Removal In Wastewater Treatment:
    Total removal:              85.36  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    84.63  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.129           18.1         1000       
   Water     5.89            1.44e+003    1000       
   Soil      60.8            2.88e+003    1000       
   Sediment  33.2            1.3e+004     0          
     Persistence Time: 3.12e+003 hr