CAS Num: 000629-94-7
SMILES : C(CCCCCCCCCCCCCCCCCCC)C
CHEM   : Heneicosane
MOL FOR: C21 H44 
MOL WT : 296.59
------------------------------ 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) =  10.65

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  346.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  62.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000142  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0189  (Modified Grain method)
    MP  (exp database):  40.5 deg C
    BP  (exp database):  356.5 deg C
    VP  (exp database):  8.73E-05 mm Hg (1.16E-002 Pa) at 25 deg C
    Subcooled liquid VP: 0.000124 mm Hg (25 deg C, exp database VP )
                       : 0.0166 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.972e-006
       log Kow used: 10.65 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.9659e-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 :   1.20E+002  atm-m3/mole  (1.21E+007 Pa-m3/mole)
   Group Method:   3.01E+002  atm-m3/mole  (3.05E+007 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:  1.865E+001 atm-m3/mole  (1.889E+006 Pa-m3/mole)
      VP:   0.000142 mm Hg (source: MPBPVP)
      WS:   2.97E-006 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.65  (KowWin est)
  Log Kaw used:  3.691  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.959
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8232
   Biowin2 (Non-Linear Model)     :   0.9231
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1404  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9580  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7695
   Biowin6 (MITI Non-Linear Model):   0.8969
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5353
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.6681
     BioHC Half-Life (days)     :  46.5658

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0165 Pa (0.000124 mm Hg)
  Log Koa (Koawin est  ): 6.959
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000181 
       Octanol/air (Koa) model:  2.23E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00651 
       Mackay model           :  0.0143 
       Octanol/air (Koa) model:  0.000179 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.6540 E-12 cm3/molecule-sec
      Half-Life =     0.401 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.815 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0104 (Junge-Pankow, Mackay avg)
      0.000179 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.068E+006  L/kg (MCI method)
      Log Koc:  6.029       (MCI method)
      Koc    :  1.749E+009  L/kg (Kow method)
      Log Koc:  9.243       (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 = 1.737 (BCF = 54.55 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.9950 days (HL = 98.85 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.647 (BCF = 4.431)
   Log BAF Arnot-Gobas method (upper trophic) = 3.913 (BAF = 8180)
       log Kow used: 10.65 (estimated)

 Volatilization from Water:
    Henry LC:  120 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.757  hours
    Half-Life from Model Lake :      163.6  hours   (6.816 days)

 Removal In Wastewater Treatment:
    Total removal:              94.32  percent
    Total biodegradation:        0.75  percent
    Total sludge adsorption:    91.67  percent
    Total to Air:                1.90  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.64            9.63         1000       
   Water     80.9            360          1000       
   Soil      12.3            720          1000       
   Sediment  1.14            3.24e+003    0          
     Persistence Time: 141 hr