CAS Num: 074744-31-3
SMILES : C(CC)#CC=CCCCCC
CHEM   : 5-UNDECEN-3-YNE, (E)-
MOL FOR: C11 H18 
MOL WT : 150.27
------------------------------ 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) =  4.81

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  206.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  24.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.382  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  51  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.704
       log Kow used: 4.81 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.3588 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.35E-002  atm-m3/mole  (8.46E+003 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  4.433E-002 atm-m3/mole  (4.491E+003 Pa-m3/mole)
      VP:   0.382 mm Hg (source: MPBPVP)
      WS:   1.7 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.81  (KowWin est)
  Log Kaw used:  0.533  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.277
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7844
   Biowin2 (Non-Linear Model)     :   0.9381
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1654  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9000  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5254
   Biowin6 (MITI Non-Linear Model):   0.6061
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3421
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6147
     BioHC Half-Life (days)     :   4.1184

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  47.1 Pa (0.353 mm Hg)
  Log Koa (Koawin est  ): 4.277
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.37E-008 
       Octanol/air (Koa) model:  4.65E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.3E-006 
       Mackay model           :  5.1E-006 
       Octanol/air (Koa) model:  3.72E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 102.6623 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 112.5423 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.250 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.140 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.571750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.140500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.004 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.005 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      3.7E-006 (Junge-Pankow, Mackay avg)
      3.72E-007 (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    :  1.493E+004  L/kg (Kow method)
      Log Koc:  4.174       (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 = 2.843 (BCF = 696.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3998 days (HL = 2.511 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.950 (BCF = 892.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.959 (BAF = 910.7)
       log Kow used: 4.81 (estimated)

 Volatilization from Water:
    Henry LC:  0.0835 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.259  hours
    Half-Life from Model Lake :      116.5  hours   (4.855 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.99  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    44.95  percent
    Total to Air:               52.87  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.08            2.38         1000       
   Water     50.2            360          1000       
   Soil      43.5            720          1000       
   Sediment  4.23            3.24e+003    0          
     Persistence Time: 123 hr