CAS Number: 589-93-5
SMILES : n(c(ccc1C)C)c1
CHEM   : Pyridine, 2,5-dimethyl-
MOL FOR: C7 H9 N1 
MOL WT : 107.16
------------------------------ 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) =  1.90
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  158.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -7.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.89  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  386  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -16 deg C
    BP  (exp database):  157.0 deg C
    VP  (exp database):  3.36E+00 mm Hg (4.48E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.298e+004
       log Kow used: 1.90 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.7e+005 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  29835 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.59E-006  atm-m3/mole  (8.70E-001 Pa-m3/mole)
   Group Method:   8.88E-006  atm-m3/mole  (9.00E-001 Pa-m3/mole)
   Exper Database: 8.68E-06  atm-m3/mole  (8.80E-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:  7.691E-006 atm-m3/mole  (7.793E-001 Pa-m3/mole)
      VP:   2.89 mm Hg (source: MPBPVP)
      WS:   5.3E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.90  (KowWin est)
  Log Kaw used:  -3.450  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.350
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6513
   Biowin2 (Non-Linear Model)     :   0.7317
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5985  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5373  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4674
   Biowin6 (MITI Non-Linear Model):   0.4868
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4473
 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):  448 Pa (3.36 mm Hg)
  Log Koa (Koawin est  ): 5.350
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.7E-009 
       Octanol/air (Koa) model:  5.5E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.42E-007 
       Mackay model           :  5.36E-007 
       Octanol/air (Koa) model:  4.4E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.4561 E-12 cm3/molecule-sec
      Half-Life =     7.346 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    88.149 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.89E-007 (Junge-Pankow, Mackay avg)
      4.4E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  184.6  L/kg (MCI method)
      Log Koc:  2.266       (MCI method)
      Koc    :  142  L/kg (Kow method)
      Log Koc:  2.152       (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 = 0.920 (BCF = 8.318 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1494 days (HL = 0.0709 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.784 (BCF = 6.088)
   Log BAF Arnot-Gobas method (upper trophic) = 0.784 (BAF = 6.088)
       log Kow used: 1.90 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.68E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      70.88  hours   (2.953 days)
    Half-Life from Model Lake :      860.1  hours   (35.84 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.64  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.06  percent
    Total to Air:                0.48  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.52            176          1000       
   Water     21.1            900          1000       
   Soil      76.1            1.8e+003     1000       
   Sediment  0.232           8.1e+003     0          
     Persistence Time: 982 hr