CAS Num: 000544-76-3
SMILES : C(CCCCCCCCCCCCCC)C
CHEM   : Hexadecane
MOL FOR: C16 H34 
MOL WT : 226.45
------------------------------ 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) =  8.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  277.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  22.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00696  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.929  (Modified Grain method)
    MP  (exp database):  18.1 deg C
    BP  (exp database):  286.8 deg C
    VP  (exp database):  1.43E-03 mm Hg (1.91E-001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0009193
       log Kow used: 8.20 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.0009 mg/L (25 deg C)
        Exper. Ref:  SUTTON,C & CALDER,JA (1974)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8.7516e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.90E+001  atm-m3/mole  (2.94E+006 Pa-m3/mole)
   Group Method:   5.35E+001  atm-m3/mole  (5.42E+006 Pa-m3/mole)
   Exper Database: 4.73E-01  atm-m3/mole  (4.79E+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:  2.256E+000 atm-m3/mole  (2.286E+005 Pa-m3/mole)
      VP:   0.00696 mm Hg (source: MPBPVP)
      WS:   0.000919 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.20  (KowWin est)
  Log Kaw used:  1.286  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.914
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8566
   Biowin2 (Non-Linear Model)     :   0.9701
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2954  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0592  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7311
   Biowin6 (MITI Non-Linear Model):   0.8849
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4053
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.3361
     BioHC Half-Life (days)     :  21.6801

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.191 Pa (0.00143 mm Hg)
  Log Koa (Koawin est  ): 6.914
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.57E-005 
       Octanol/air (Koa) model:  2.01E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000568 
       Mackay model           :  0.00126 
       Octanol/air (Koa) model:  0.000161 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.5888 E-12 cm3/molecule-sec
      Half-Life =     0.546 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.552 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000913 (Junge-Pankow, Mackay avg)
      0.000161 (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    :  1.307E+007  L/kg (Kow method)
      Log Koc:  7.116       (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 = 2.940 (BCF = 870.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.2992 days (HL = 19.92 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.505 (BCF = 319.7)
   Log BAF Arnot-Gobas method (upper trophic) = 5.278 (BAF = 1.898e+005)
       log Kow used: 8.20 (estimated)

 Volatilization from Water:
    Henry LC:  0.473 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.537  hours
    Half-Life from Model Lake :        143  hours   (5.956 days)

 Removal In Wastewater Treatment:
    Total removal:              94.34  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    91.49  percent
    Total to Air:                2.10  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.46            10.3         1000       
   Water     37.5            208          1000       
   Soil      55              416          1000       
   Sediment  4.08            1.87e+003    0          
     Persistence Time: 191 hr