CAS Num: 000108-99-6
SMILES : n(cccc1C)c1
CHEM   : Pyridine, 3-methyl-
MOL FOR: C6 H7 N1 
MOL WT : 93.13
------------------------------ 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) =  1.35
    Log Kow (Exper. database match) =  1.20
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  136.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -25.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.27  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  702  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -18.1 deg C
    BP  (exp database):  144.1 deg C
    VP  (exp database):  6.05E+00 mm Hg (8.07E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.303e+005
       log Kow used: 1.20 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (25 deg C)
        Exper. Ref:  KIRK-OTHMER; 4th ed, 20:644 (1996)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  86928 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.78E-006  atm-m3/mole  (7.88E-001 Pa-m3/mole)
   Group Method:   6.43E-006  atm-m3/mole  (6.52E-001 Pa-m3/mole)
   Exper Database: 7.73E-06  atm-m3/mole  (7.83E-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:  2.804E-006 atm-m3/mole  (2.841E-001 Pa-m3/mole)
      VP:   5.27 mm Hg (source: MPBPVP)
      WS:   2.3E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.20  (exp database)
  Log Kaw used:  -3.500  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.700
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6033
   Biowin2 (Non-Linear Model)     :   0.6514
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7043  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6261  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4759
   Biowin6 (MITI Non-Linear Model):   0.5412
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7237
 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):  807 Pa (6.05 mm Hg)
  Log Koa (Koawin est  ): 4.700
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.72E-009 
       Octanol/air (Koa) model:  1.23E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.34E-007 
       Mackay model           :  2.98E-007 
       Octanol/air (Koa) model:  9.84E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.1019 E-12 cm3/molecule-sec
      Half-Life =     9.707 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =   116.480 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.16E-007 (Junge-Pankow, Mackay avg)
      9.84E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  115.1  L/kg (MCI method)
      Log Koc:  2.061       (MCI method)
      Koc    :  58.24  L/kg (Kow method)
      Log Koc:  1.765       (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 = 0.459 (BCF = 2.876 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1528 days (HL = 0.07034 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.321 (BCF = 2.094)
   Log BAF Arnot-Gobas method (upper trophic) = 0.321 (BAF = 2.094)
       log Kow used: 1.20 (expkow database)

 Volatilization from Water:
    Henry LC:  7.73E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      74.08  hours   (3.087 days)
    Half-Life from Model Lake :        889  hours   (37.04 days)

 Removal In Wastewater Treatment:
    Total removal:               2.34  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.81  percent
    Total to Air:                0.43  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.83            233          1000       
   Water     23.2            900          1000       
   Soil      73.8            1.8e+003     1000       
   Sediment  0.174           8.1e+003     0          
     Persistence Time: 941 hr