CAS Number: 106051-44-9
SMILES : CCCCCC=CCCC=C
CHEM   : 
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) =  5.39
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  190.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -34.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.815  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  109  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.5348
       log Kow used: 5.39 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.0692 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.21E-001  atm-m3/mole  (8.31E+004 Pa-m3/mole)
   Group Method:   7.92E-001  atm-m3/mole  (8.02E+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:  3.053E-001 atm-m3/mole  (3.094E+004 Pa-m3/mole)
      VP:   0.815 mm Hg (source: MPBPVP)
      WS:   0.535 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.39  (KowWin est)
  Log Kaw used:  1.526  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.864
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7835
   Biowin2 (Non-Linear Model)     :   0.9364
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1610  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8971  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5870
   Biowin6 (MITI Non-Linear Model):   0.7044
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2271
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7581
     BioHC Half-Life (days)     :   5.7292
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  99.5 Pa (0.746 mm Hg)
  Log Koa (Koawin est  ): 3.864
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.02E-008 
       Octanol/air (Koa) model:  1.79E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.09E-006 
       Mackay model           :  2.41E-006 
       Octanol/air (Koa) model:  1.44E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  90.2887 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  97.8887 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.422 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.311 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    14.200000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    21.200001 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.937 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.297 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.75E-006 (Junge-Pankow, Mackay avg)
      1.44E-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    :  4.76E+004  L/kg (Kow method)
      Log Koc:  4.678       (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 = 3.225 (BCF = 1678 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6482 days (HL = 4.449 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.204 (BCF = 1600)
   Log BAF Arnot-Gobas method (upper trophic) = 3.293 (BAF = 1963)
       log Kow used: 5.39 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.792 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1.26  hours
    Half-Life from Model Lake :      117.2  hours   (4.884 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.74  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    54.94  percent
    Total to Air:               44.62  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.76            1.15         1000       
   Water     82              360          1000       
   Soil      9.44            720          1000       
   Sediment  6.85            3.24e+003    0          
     Persistence Time: 75.3 hr