CAS Number: 15987-02-7
SMILES : n1ccnc(c1C)CCCCC
CHEM   : 
MOL FOR: C10 H16 N2 
MOL WT : 164.25
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  3.00
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  246.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  50.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0185  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.46  (Modified Grain method)
    Subcooled liquid VP: 0.0317 mm Hg (25 deg C, Mod-Grain method)
                       : 4.23 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  179.7
       log Kow used: 3.00 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  704.71 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.10E-005  atm-m3/mole  (1.12E+000 Pa-m3/mole)
   Group Method:   5.60E-008  atm-m3/mole  (5.68E-003 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:  2.225E-005 atm-m3/mole  (2.254E+000 Pa-m3/mole)
      VP:   0.0185 mm Hg (source: MPBPVP)
      WS:   180 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.00  (KowWin est)
  Log Kaw used:  -3.347  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.347
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8871
   Biowin2 (Non-Linear Model)     :   0.9753
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9848  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7428  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3744
   Biowin6 (MITI Non-Linear Model):   0.3810
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1677
 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):  4.23 Pa (0.0317 mm Hg)
  Log Koa (Koawin est  ): 6.347
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.1E-007 
       Octanol/air (Koa) model:  5.46E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.56E-005 
       Mackay model           :  5.68E-005 
       Octanol/air (Koa) model:  4.37E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.1585 E-12 cm3/molecule-sec
      Half-Life =     1.737 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.841 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.12E-005 (Junge-Pankow, Mackay avg)
      4.37E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1120  L/kg (MCI method)
      Log Koc:  3.049       (MCI method)
      Koc    :  961.4  L/kg (Kow method)
      Log Koc:  2.983       (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 v3.01):
   Log BCF from regression-based method = 1.646 (BCF = 44.25 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2195 days (HL = 0.6033 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.870 (BCF = 74.1)
   Log BAF Arnot-Gobas method (upper trophic) = 1.870 (BAF = 74.1)
       log Kow used: 3.00 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.1E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      69.52  hours   (2.897 days)
    Half-Life from Model Lake :      865.9  hours   (36.08 days)
 
 Removal In Wastewater Treatment:
    Total removal:               6.26  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.55  percent
    Total to Air:                0.59  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.67            41.7         1000       
   Water     23.7            360          1000       
   Soil      72.7            720          1000       
   Sediment  0.927           3.24e+003    0          
     Persistence Time: 475 hr