CAS Number: 710-40-7
SMILES : n1cc(ccc1C)CCCCCC
CHEM   : 
MOL FOR: C12 H19 N1 
MOL WT : 177.29
------------------------------ 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) =  4.35
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  255.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  49.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0119  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.58  (Modified Grain method)
    Subcooled liquid VP: 0.0197 mm Hg (25 deg C, Mod-Grain method)
                       : 2.63 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  216.4
       log Kow used: 4.35 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  101.93 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.54E-005  atm-m3/mole  (3.59E+000 Pa-m3/mole)
   Group Method:   5.48E-005  atm-m3/mole  (5.55E+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:  1.283E-005 atm-m3/mole  (1.300E+000 Pa-m3/mole)
      VP:   0.0119 mm Hg (source: MPBPVP)
      WS:   216 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.35  (KowWin est)
  Log Kaw used:  -2.839  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.189
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7263
   Biowin2 (Non-Linear Model)     :   0.8642
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7418  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7052  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3597
   Biowin6 (MITI Non-Linear Model):   0.3160
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4040
 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):  2.63 Pa (0.0197 mm Hg)
  Log Koa (Koawin est  ): 7.189
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.14E-006 
       Octanol/air (Koa) model:  3.79E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.13E-005 
       Mackay model           :  9.14E-005 
       Octanol/air (Koa) model:  0.000303 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.0169 E-12 cm3/molecule-sec
      Half-Life =     1.334 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.010 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.63E-005 (Junge-Pankow, Mackay avg)
      0.000303 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3885  L/kg (MCI method)
      Log Koc:  3.589       (MCI method)
      Koc    :  3218  L/kg (Kow method)
      Log Koc:  3.508       (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 = 2.540 (BCF = 346.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4479 days (HL = 0.3565 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.154 (BCF = 142.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.154 (BAF = 142.6)
       log Kow used: 4.35 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.48E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      15.58  hours
    Half-Life from Model Lake :      281.7  hours   (11.74 days)
 
 Removal In Wastewater Treatment:
    Total removal:              48.99  percent
    Total biodegradation:        0.45  percent
    Total sludge adsorption:    47.10  percent
    Total to Air:                1.43  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.2             32           1000       
   Water     14.4            900          1000       
   Soil      81.2            1.8e+003     1000       
   Sediment  3.21            8.1e+003     0          
     Persistence Time: 1.05e+003 hr