CAS Num: 000630-01-3
SMILES : C(CCCCCCCCCCCCCCCCCCCCCCCC)C
CHEM   : Hexacosane
MOL FOR: C26 H54 
MOL WT : 366.72
------------------------------ 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) =  13.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  404.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  115.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.26E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000702  (Modified Grain method)
    MP  (exp database):  56.4 deg C
    BP  (exp database):  412.2 deg C
    VP  (exp database):  4.69E-07 mm Hg (6.25E-005 Pa) at 25 deg C
    Subcooled liquid VP: 9.59E-007 mm Hg (25 deg C, exp database VP )
                       : 0.000128 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.071e-009
       log Kow used: 13.11 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.0017 mg/L (25 deg C)
        Exper. Ref:  SHAW,DG (1989)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.6672e-007 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.94E+002  atm-m3/mole  (5.00E+007 Pa-m3/mole)
   Group Method:   1.69E+003  atm-m3/mole  (1.71E+008 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:  2.798E+002 atm-m3/mole  (2.835E+007 Pa-m3/mole)
      VP:   5.26E-006 mm Hg (source: MPBPVP)
      WS:   9.07E-009 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  13.11  (KowWin est)
  Log Kaw used:  4.305  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.805
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7898
   Biowin2 (Non-Linear Model)     :   0.8159
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9854  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8568  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8080
   Biowin6 (MITI Non-Linear Model):   0.9077
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6652
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.8896
     BioHC Half-Life (days)     :  77.5580

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.000128 Pa (9.59E-007 mm Hg)
  Log Koa (Koawin est  ): 8.805
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0235 
       Octanol/air (Koa) model:  0.000157 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.459 
       Mackay model           :  0.652 
       Octanol/air (Koa) model:  0.0124 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.7193 E-12 cm3/molecule-sec
      Half-Life =     0.317 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.806 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.556 (Junge-Pankow, Mackay avg)
      0.0124 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.148E+007  L/kg (MCI method)
      Log Koc:  7.332       (MCI method)
      Koc    :  2.387E+011  L/kg (Kow method)
      Log Koc:  11.378      (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 = 1.130 (BCF = 13.49 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.6907 days (HL = 490.6 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.032 (BCF = 0.9283)
   Log BAF Arnot-Gobas method (upper trophic) = 2.176 (BAF = 150)
       log Kow used: 13.11 (estimated)

 Volatilization from Water:
    Henry LC:  494 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.954  hours
    Half-Life from Model Lake :      181.9  hours   (7.579 days)

 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.23  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.13            7.61         1000       
   Water     60.1            360          1000       
   Soil      36.7            720          1000       
   Sediment  0.0592          3.24e+003    0          
     Persistence Time: 190 hr