CAS Number: 2294-72-6
SMILES : C(#CCCCCC)CCCC
CHEM   : 5-UNDECYNE
MOL FOR: C11 H20 
MOL WT : 152.28
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  5.03
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  200.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  24.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.556  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  74.1  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -74.7 deg C
    BP  (exp database):  198.5 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.094
       log Kow used: 5.03 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.9129 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.81E-002  atm-m3/mole  (7.92E+003 Pa-m3/mole)
   Group Method:   1.09E-001  atm-m3/mole  (1.11E+004 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:  1.018E-001 atm-m3/mole  (1.032E+004 Pa-m3/mole)
      VP:   0.556 mm Hg (source: MPBPVP)
      WS:   1.09 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.03  (KowWin est)
  Log Kaw used:  0.504  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.526
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8919
   Biowin2 (Non-Linear Model)     :   0.9894
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4593  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1662  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6058
   Biowin6 (MITI Non-Linear Model):   0.7640
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2234
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7608
     BioHC Half-Life (days)     :   5.7651
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  68 Pa (0.51 mm Hg)
  Log Koa (Koawin est  ): 4.526
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.41E-008 
       Octanol/air (Koa) model:  8.24E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.59E-006 
       Mackay model           :  3.53E-006 
       Octanol/air (Koa) model:  6.59E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  36.1690 E-12 cm3/molecule-sec
      Half-Life =     0.296 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.549 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003000 E-17 cm3/molecule-sec
      Half-Life =   382.000 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      2.56E-006 (Junge-Pankow, Mackay avg)
      6.59E-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    :  2.318E+004  L/kg (Kow method)
      Log Koc:  4.365       (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 = 1.610 (BCF = 40.76 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3455 days (HL = 2.216 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.921 (BCF = 833.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.932 (BAF = 856)
       log Kow used: 5.03 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.109 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.266  hours
    Half-Life from Model Lake :      117.3  hours   (4.887 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.46  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    50.61  percent
    Total to Air:               47.66  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.89            7.09         1000       
   Water     50.2            208          1000       
   Soil      40.1            416          1000       
   Sediment  2.76            1.87e+003    0          
     Persistence Time: 97.3 hr