CAS Num: 000630-02-4
SMILES : C(CCCCCCCCCCCCCCCCCCCCCCCCCC)C
CHEM   : Octacosane
MOL FOR: C28 H58 
MOL WT : 394.77
------------------------------ 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) =  14.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  427.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  133.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.55E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000206  (Modified Grain method)
    MP  (exp database):  64.5 deg C
    BP  (exp database):  431.6 deg C
    VP  (exp database):  1.60E-09 mm Hg (2.13E-007 Pa) at 25 deg C
    Subcooled liquid VP: 3.93E-009 mm Hg (25 deg C, exp database VP )
                       : 5.24E-007 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.844e-010
       log Kow used: 14.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.9477e-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 :   8.70E+002  atm-m3/mole  (8.82E+007 Pa-m3/mole)
   Group Method:   3.38E+003  atm-m3/mole  (3.42E+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:  9.104E+002 atm-m3/mole  (9.224E+007 Pa-m3/mole)
      VP:   1.55E-006 mm Hg (source: MPBPVP)
      WS:   8.84E-010 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  14.09  (KowWin est)
  Log Kaw used:  4.551  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.539
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7765
   Biowin2 (Non-Linear Model)     :   0.7484
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9234  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8163  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8233
   Biowin6 (MITI Non-Linear Model):   0.9117
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7172
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   2.0224
     BioHC Half-Life (days)     : 105.3001

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.24E-007 Pa (3.93E-009 mm Hg)
  Log Koa (Koawin est  ): 9.539
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.73 
       Octanol/air (Koa) model:  0.000849 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.995 
       Mackay model           :  0.998 
       Octanol/air (Koa) model:  0.0636 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  36.5454 E-12 cm3/molecule-sec
      Half-Life =     0.293 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.512 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.997 (Junge-Pankow, Mackay avg)
      0.0636 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7.133E+007  L/kg (MCI method)
      Log Koc:  7.853       (MCI method)
      Koc    :  1.692E+012  L/kg (Kow method)
      Log Koc:  12.228      (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 = 0.649 (BCF = 4.455 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.9690 days (HL = 931.2 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8977)
   Log BAF Arnot-Gobas method (upper trophic) = 1.354 (BAF = 22.59)
       log Kow used: 14.09 (estimated)

 Volatilization from Water:
    Henry LC:  870 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.027  hours
    Half-Life from Model Lake :      188.7  hours   (7.863 days)

 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.22            7.02         1000       
   Water     49.3            360          1000       
   Soil      48.5            720          1000       
   Sediment  0.0169          3.24e+003    0          
     Persistence Time: 232 hr