CAS Number: 629-73-2
SMILES : C(=C)CCCCCCCCCCCCCC
CHEM   : 1-Hexadecene
MOL FOR: C16 H32 
MOL WT : 224.43
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  8.06
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  275.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00766  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.02  (Modified Grain method)
    MP  (exp database):  4.1 deg C
    BP  (exp database):  284.9 deg C
    VP  (exp database):  2.64E-03 mm Hg (3.52E-001 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.001232
       log Kow used: 8.06 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00039982 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.10E+000  atm-m3/mole  (6.18E+005 Pa-m3/mole)
   Group Method:   1.69E+001  atm-m3/mole  (1.71E+006 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:  1.836E+000 atm-m3/mole  (1.860E+005 Pa-m3/mole)
      VP:   0.00766 mm Hg (source: MPBPVP)
      WS:   0.00123 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.06  (KowWin est)
  Log Kaw used:  2.397  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.663
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7491
   Biowin2 (Non-Linear Model)     :   0.8410
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0015  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7930  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7058
   Biowin6 (MITI Non-Linear Model):   0.8500
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5561
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.2362
     BioHC Half-Life (days)     :  17.2258
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.352 Pa (0.00264 mm Hg)
  Log Koa (Koawin est  ): 5.663
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.52E-006 
       Octanol/air (Koa) model:  1.13E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000308 
       Mackay model           :  0.000681 
       Octanol/air (Koa) model:  9.04E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  44.3085 E-12 cm3/molecule-sec
      Half-Life =     0.241 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.897 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000495 (Junge-Pankow, Mackay avg)
      9.04E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5.315E+004  L/kg (MCI method)
      Log Koc:  4.725       (MCI method)
      Koc    :  9.883E+006  L/kg (Kow method)
      Log Koc:  6.995       (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 = 3.007 (BCF = 1016 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.2556 days (HL = 18.01 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.793 (BCF = 620.5)
   Log BAF Arnot-Gobas method (upper trophic) = 5.755 (BAF = 5.688e+005)
       log Kow used: 8.06 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.1 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.529  hours
    Half-Life from Model Lake :      142.3  hours   (5.929 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.99  percent
    Total biodegradation:        0.48  percent
    Total sludge adsorption:    76.68  percent
    Total to Air:               19.83  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.99            4.62         1000       
   Water     69.2            360          1000       
   Soil      11.8            720          1000       
   Sediment  16              3.24e+003    0          
     Persistence Time: 144 hr