CAS Num: 000644-98-4
SMILES : n1c(C(C)C)cccc1
CHEM   : 
MOL FOR: C8 H11 N1 
MOL WT : 121.18
------------------------------ 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) =  2.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  167.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -13.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.1E+005  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  8.13E+007  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -141 deg C
    BP  (exp database):  -159.8 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.327e+004
       log Kow used: 2.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15985 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.37E-005  atm-m3/mole  (1.39E+000 Pa-m3/mole)
   Group Method:   1.77E-005  atm-m3/mole  (1.80E+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:  5.208E-003 atm-m3/mole  (5.277E+002 Pa-m3/mole)
      VP:   6.1E+005 mm Hg (source: MPBPVP)
      WS:   2.33E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.26  (KowWin est)
  Log Kaw used:  -3.252  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.512
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5900
   Biowin2 (Non-Linear Model)     :   0.5565
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6424  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5856  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3421
   Biowin6 (MITI Non-Linear Model):   0.3428
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8549
 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):  1.19E+008 Pa (8.93E+005 mm Hg)
  Log Koa (Koawin est  ): 5.512
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.52E-014 
       Octanol/air (Koa) model:  7.98E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.1E-013 
       Mackay model           :  2.02E-012 
       Octanol/air (Koa) model:  6.38E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.1524 E-12 cm3/molecule-sec
      Half-Life =     3.393 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    40.716 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.46E-012 (Junge-Pankow, Mackay avg)
      6.38E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  343.3  L/kg (MCI method)
      Log Koc:  2.536       (MCI method)
      Koc    :  224.7  L/kg (Kow method)
      Log Koc:  2.352       (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 = 1.158 (BCF = 14.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7843 days (HL = 0.1643 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.162 (BCF = 14.52)
   Log BAF Arnot-Gobas method (upper trophic) = 1.162 (BAF = 14.52)
       log Kow used: 2.26 (estimated)

 Volatilization from Water:
    Henry LC:  1.77E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      37.54  hours   (1.564 days)
    Half-Life from Model Lake :      501.8  hours   (20.91 days)

 Removal In Wastewater Treatment:
    Total removal:               3.52  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.45  percent
    Total to Air:                0.97  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.97            81.4         1000       
   Water     18.9            900          1000       
   Soil      78.7            1.8e+003     1000       
   Sediment  0.363           8.1e+003     0          
     Persistence Time: 997 hr