CAS Num: 029127-83-1
SMILES : C(#N)C=CCCCCCC
CHEM   : 2-Nonenenitrile
MOL FOR: C9 H15 N1 
MOL WT : 137.23
------------------------------ 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) =  3.08

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  230.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -0.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0747  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  9.96  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  110
       log Kow used: 3.08 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  286.71 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 :   8.89E-004  atm-m3/mole  (9.01E+001 Pa-m3/mole)
   Group Method:   9.09E-004  atm-m3/mole  (9.21E+001 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:  1.226E-004 atm-m3/mole  (1.242E+001 Pa-m3/mole)
      VP:   0.0747 mm Hg (source: MPBPVP)
      WS:   110 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.08  (KowWin est)
  Log Kaw used:  -1.440  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.520
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0976
   Biowin2 (Non-Linear Model)     :   0.9995
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1119  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8536  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6354
   Biowin6 (MITI Non-Linear Model):   0.7354
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4217
 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):  9.41 Pa (0.0706 mm Hg)
  Log Koa (Koawin est  ): 4.520
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.19E-007 
       Octanol/air (Koa) model:  8.13E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.15E-005 
       Mackay model           :  2.55E-005 
       Octanol/air (Koa) model:  6.5E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.7281 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  16.9441 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    8.161 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    7.575 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):
      1.85E-005 (Junge-Pankow, Mackay avg)
      6.5E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  311.8  L/kg (MCI method)
      Log Koc:  2.494       (MCI method)
      Koc    :  1049  L/kg (Kow method)
      Log Koc:  3.021       (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 = 1.697 (BCF = 49.81 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1911 days (HL = 0.644 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.933 (BCF = 85.7)
   Log BAF Arnot-Gobas method (upper trophic) = 1.933 (BAF = 85.7)
       log Kow used: 3.08 (estimated)

 Volatilization from Water:
    Henry LC:  0.000909 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1.95  hours
    Half-Life from Model Lake :      119.5  hours   (4.979 days)

 Removal In Wastewater Treatment:
    Total removal:              31.74  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     5.38  percent
    Total to Air:               26.26  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.54            16.1         1000       
   Water     22.7            360          1000       
   Soil      73.5            720          1000       
   Sediment  0.305           3.24e+003    0          
     Persistence Time: 307 hr