CAS Number: 693-61-8
SMILES : C(C)=CCCCCCCCC
CHEM   : 2-UNDECENE, (E)-
MOL FOR: C11 H22 
MOL WT : 154.30
------------------------------ 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) =  5.53
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  191.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -33.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.623  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  83  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -66.5 deg C
    BP  (exp database):  196.1 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.4006
       log Kow used: 5.53 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.28462 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.75E+000  atm-m3/mole  (1.77E+005 Pa-m3/mole)
   Group Method:   2.08E+000  atm-m3/mole  (2.11E+005 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:  3.157E-001 atm-m3/mole  (3.199E+004 Pa-m3/mole)
      VP:   0.623 mm Hg (source: MPBPVP)
      WS:   0.401 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.53  (KowWin est)
  Log Kaw used:  1.855  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.675
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8909
   Biowin2 (Non-Linear Model)     :   0.9891
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4549  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1633  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6122
   Biowin6 (MITI Non-Linear Model):   0.7638
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0764
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7475
     BioHC Half-Life (days)     :   5.5915
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  76.1 Pa (0.571 mm Hg)
  Log Koa (Koawin est  ): 3.675
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.94E-008 
       Octanol/air (Koa) model:  1.16E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.42E-006 
       Mackay model           :  3.15E-006 
       Octanol/air (Koa) model:  9.29E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  66.0662 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  73.6662 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.943 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.742 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.29E-006 (Junge-Pankow, Mackay avg)
      9.29E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2644  L/kg (MCI method)
      Log Koc:  3.422       (MCI method)
      Koc    :  6.296E+004  L/kg (Kow method)
      Log Koc:  4.799       (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 = 1.940 (BCF = 87.18 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6919 days (HL = 4.919 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.243 (BCF = 1749)
   Log BAF Arnot-Gobas method (upper trophic) = 3.380 (BAF = 2399)
       log Kow used: 5.53 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.75 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.268  hours
    Half-Life from Model Lake :        118  hours   (4.916 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.87  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    56.13  percent
    Total to Air:               43.56  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.67            1.37         1000       
   Water     86.3            208          1000       
   Soil      6.31            416          1000       
   Sediment  4.68            1.87e+003    0          
     Persistence Time: 56.8 hr