CAS Num: 002244-07-7
SMILES : C(#N)CCCCCCCCCC
CHEM   : Undecanenitrile
MOL FOR: C11 H21 N1 
MOL WT : 167.30
------------------------------ 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) =  4.27

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  260.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  22.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0232  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.09  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  253 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.695
       log Kow used: 4.27 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13.323 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.91E-004  atm-m3/mole  (3.96E+001 Pa-m3/mole)
   Group Method:   6.00E-004  atm-m3/mole  (6.08E+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:  6.637E-004 atm-m3/mole  (6.725E+001 Pa-m3/mole)
      VP:   0.0232 mm Hg (source: MPBPVP)
      WS:   7.7 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.27  (KowWin est)
  Log Kaw used:  -1.796  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.066
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0833
   Biowin2 (Non-Linear Model)     :   0.9992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0454  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8102  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7312
   Biowin6 (MITI Non-Linear Model):   0.8599
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6727
 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):  3.04 Pa (0.0228 mm Hg)
  Log Koa (Koawin est  ): 6.066
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.87E-007 
       Octanol/air (Koa) model:  2.86E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.56E-005 
       Mackay model           :  7.89E-005 
       Octanol/air (Koa) model:  2.29E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.1505 E-12 cm3/molecule-sec
      Half-Life =     1.054 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.645 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.73E-005 (Junge-Pankow, Mackay avg)
      2.29E-005 (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    :  4777  L/kg (Kow method)
      Log Koc:  3.679       (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 = 1.113 (BCF = 12.97 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.0012 days (HL = 0.9972 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.539 (BCF = 346.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.540 (BAF = 346.7)
       log Kow used: 4.27 (estimated)

 Volatilization from Water:
    Henry LC:  0.0006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.582  hours
    Half-Life from Model Lake :      136.6  hours   (5.693 days)

 Removal In Wastewater Treatment:
    Total removal:              52.51  percent
    Total biodegradation:        0.37  percent
    Total sludge adsorption:    40.34  percent
    Total to Air:               11.80  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.28            25.3         1000       
   Water     18              360          1000       
   Soil      78              720          1000       
   Sediment  0.656           3.24e+003    0          
     Persistence Time: 399 hr