CAS Number: 23203-46-5
SMILES : C(#N)C=CCCCCCCCC
CHEM   : 
MOL FOR: C11 H19 N1 
MOL WT : 165.28
------------------------------ 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) =  4.06
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  265.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0115  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.53  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  12
       log Kow used: 4.06 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  29.119 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Nitriles
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.57E-003  atm-m3/mole  (1.59E+002 Pa-m3/mole)
   Group Method:   1.81E-003  atm-m3/mole  (1.84E+002 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:  2.084E-004 atm-m3/mole  (2.112E+001 Pa-m3/mole)
      VP:   0.0115 mm Hg (source: MPBPVP)
      WS:   12 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.06  (KowWin est)
  Log Kaw used:  -1.193  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.253
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0843
   Biowin2 (Non-Linear Model)     :   0.9992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0499  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8131  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6508
   Biowin6 (MITI Non-Linear Model):   0.7448
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4737
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.56 Pa (0.0117 mm Hg)
  Log Koa (Koawin est  ): 5.253
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.92E-006 
       Octanol/air (Koa) model:  4.4E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.95E-005 
       Mackay model           :  0.000154 
       Octanol/air (Koa) model:  3.52E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.5542 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  19.7702 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    6.918 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    6.492 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.028438 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.056875 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    40.299 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    20.149 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.000112 (Junge-Pankow, Mackay avg)
      3.52E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1036  L/kg (MCI method)
      Log Koc:  3.015       (MCI method)
      Koc    :  3656  L/kg (Kow method)
      Log Koc:  3.563       (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 = 0.971 (BCF = 9.356 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0872 days (HL = 1.222 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.557 (BCF = 360.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.557 (BAF = 360.8)
       log Kow used: 4.06 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00181 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.728  hours
    Half-Life from Model Lake :      126.6  hours   (5.277 days)
 
 Removal In Wastewater Treatment:
    Total removal:              57.56  percent
    Total biodegradation:        0.24  percent
    Total sludge adsorption:    27.42  percent
    Total to Air:               29.90  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.68            13.6         1000       
   Water     19.3            360          1000       
   Soil      77.3            720          1000       
   Sediment  0.702           3.24e+003    0          
     Persistence Time: 340 hr