CAS Num: 000591-22-0
SMILES : n(cc(cc1C)C)c1
CHEM   : Pyridine, 3,5-dimethyl-
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) =  1.90
    Log Kow (Exper. database match) =  1.78
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN 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):  1.42  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  189  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -6.6 deg C
    BP  (exp database):  172 deg C
    VP  (exp database):  1.74E+00 mm Hg (2.32E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.696e+004
       log Kow used: 1.78 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3.3e+004 mg/L (20 deg C)
        Exper. Ref:  KIRK-OTHMER; 4th ed, 20:644 (1996)

 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:   6.89E-006  atm-m3/mole  (6.99E-001 Pa-m3/mole)
   Exper Database: 6.89E-06  atm-m3/mole  (6.98E-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:  2.990E-006 atm-m3/mole  (3.030E-001 Pa-m3/mole)
      VP:   1.42 mm Hg (source: MPBPVP)
      WS:   6.7E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.78  (exp database)
  Log Kaw used:  -3.550  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.330
      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):  232 Pa (1.74 mm Hg)
  Log Koa (Koawin est  ): 5.330
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.29E-008 
       Octanol/air (Koa) model:  5.25E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.67E-007 
       Mackay model           :  1.03E-006 
       Octanol/air (Koa) model:  4.2E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.7936 E-12 cm3/molecule-sec
      Half-Life =     3.829 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    45.945 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.51E-007 (Junge-Pankow, Mackay avg)
      4.2E-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    :  121.9  L/kg (Kow method)
      Log Koc:  2.086       (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 = 0.841 (BCF = 6.941 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1860 days (HL = 0.06517 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.689 (BCF = 4.884)
   Log BAF Arnot-Gobas method (upper trophic) = 0.689 (BAF = 4.884)
       log Kow used: 1.78 (expkow database)

 Volatilization from Water:
    Henry LC:  6.89E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      89.02  hours   (3.709 days)
    Half-Life from Model Lake :       1058  hours   (44.08 days)

 Removal In Wastewater Treatment:
    Total removal:               2.47  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.99  percent
    Total to Air:                0.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.99            91.9         1000       
   Water     21.3            900          1000       
   Soil      76.5            1.8e+003     1000       
   Sediment  0.233           8.1e+003     0          
     Persistence Time: 980 hr