CAS Num: 000100-71-0
SMILES : n(c(ccc1)CC)c1
CHEM   : Pyridine, 2-ethyl-
MOL FOR: C7 H9 N1 
MOL WT : 107.16
------------------------------ 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) =  1.84
    Log Kow (Exper. database match) =  1.69
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  158.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -13.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.28  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  570  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -63.1 deg C
    BP  (exp database):  148.6 deg C
    VP  (exp database):  4.89E+00 mm Hg (6.52E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.992e+004
       log Kow used: 1.69 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3.4e+005 mg/L (-5 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  29045 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.03E-005  atm-m3/mole  (1.05E+000 Pa-m3/mole)
   Group Method:   1.28E-005  atm-m3/mole  (1.30E+000 Pa-m3/mole)
   Exper Database: 1.65E-05  atm-m3/mole  (1.67E+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:  7.551E-006 atm-m3/mole  (7.651E-001 Pa-m3/mole)
      VP:   4.28 mm Hg (source: MPBPVP)
      WS:   7.99E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.69  (exp database)
  Log Kaw used:  -3.171  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.861
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5966
   Biowin2 (Non-Linear Model)     :   0.6049
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6733  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6059  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3374
   Biowin6 (MITI Non-Linear Model):   0.3425
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8941
 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):  652 Pa (4.89 mm Hg)
  Log Koa (Koawin est  ): 4.861
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.6E-009 
       Octanol/air (Koa) model:  1.78E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.66E-007 
       Mackay model           :  3.68E-007 
       Octanol/air (Koa) model:  1.43E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.0207 E-12 cm3/molecule-sec
      Half-Life =     5.293 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    63.519 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.67E-007 (Junge-Pankow, Mackay avg)
      1.43E-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    :  108.7  L/kg (Kow method)
      Log Koc:  2.036       (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 = 0.782 (BCF = 6.054 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0424 days (HL = 0.0907 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.663 (BCF = 4.607)
   Log BAF Arnot-Gobas method (upper trophic) = 0.663 (BAF = 4.607)
       log Kow used: 1.69 (expkow database)

 Volatilization from Water:
    Henry LC:  1.65E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      37.79  hours   (1.575 days)
    Half-Life from Model Lake :        499  hours   (20.79 days)

 Removal In Wastewater Treatment:
    Total removal:               2.94  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.93  percent
    Total to Air:                0.91  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.43            127          1000       
   Water     20.2            900          1000       
   Soil      77.1            1.8e+003     1000       
   Sediment  0.258           8.1e+003     0          
     Persistence Time: 970 hr