CAS Num: 005058-19-5
SMILES : n(ccc1)c(c1)CCCC
CHEM   : PYRIDINE, 2-BUTYL-
MOL FOR: C9 H13 N1 
MOL WT : 135.21
------------------------------ 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) =  2.83

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  200.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  9.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0979  (Modified Grain method)
    VP (Pa, 25 deg C) :  13.1  (Modified Grain method)
    MP  (exp database):  97 deg C
    BP  (exp database):  192 deg C
    Subcooled liquid VP: 0.489 mm Hg (25 deg C, Mod-Grain method)
                       : 65.2 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6761
       log Kow used: 2.83 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3090.5 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.82E-005  atm-m3/mole  (1.84E+000 Pa-m3/mole)
   Group Method:   2.56E-005  atm-m3/mole  (2.60E+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:  2.576E-006 atm-m3/mole  (2.610E-001 Pa-m3/mole)
      VP:   0.0979 mm Hg (source: MPBPVP)
      WS:   6.76E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.83  (KowWin est)
  Log Kaw used:  -3.128  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.958
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6917
   Biowin2 (Non-Linear Model)     :   0.8666
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9097  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8345  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3528
   Biowin6 (MITI Non-Linear Model):   0.3536
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6283
 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):  65.2 Pa (0.489 mm Hg)
  Log Koa (Koawin est  ): 5.958
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.6E-008 
       Octanol/air (Koa) model:  2.23E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.66E-006 
       Mackay model           :  3.68E-006 
       Octanol/air (Koa) model:  1.78E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.7974 E-12 cm3/molecule-sec
      Half-Life =     2.230 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.755 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.67E-006 (Junge-Pankow, Mackay avg)
      1.78E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  729  L/kg (MCI method)
      Log Koc:  2.863       (MCI method)
      Koc    :  464.3  L/kg (Kow method)
      Log Koc:  2.667       (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 = 1.531 (BCF = 33.96 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6830 days (HL = 0.2075 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.580 (BCF = 37.98)
   Log BAF Arnot-Gobas method (upper trophic) = 1.580 (BAF = 37.98)
       log Kow used: 2.83 (estimated)

 Volatilization from Water:
    Henry LC:  2.56E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      27.78  hours   (1.158 days)
    Half-Life from Model Lake :      400.6  hours   (16.69 days)

 Removal In Wastewater Treatment:
    Total removal:               5.79  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     4.33  percent
    Total to Air:                1.35  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.29            53.5         1000       
   Water     23.3            360          1000       
   Soil      72.8            720          1000       
   Sediment  0.628           3.24e+003    0          
     Persistence Time: 467 hr