CAS Num: 000593-49-7
SMILES : CCCCCCCCCCCCCCCCCCCCCCCCCCC
CHEM   : Heptacosane
MOL FOR: C27 H56 
MOL WT : 380.75
------------------------------ 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) =  13.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  415.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  124.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.84E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000131  (Modified Grain method)
    MP  (exp database):  59.5 deg C
    BP  (exp database):  442 deg C
    VP  (exp database):  2.81E-07 mm Hg (3.75E-005 Pa) at 25 deg C
    Subcooled liquid VP: 6.16E-007 mm Hg (25 deg C, exp database VP )
                       : 8.22E-005 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.834e-009
       log Kow used: 13.60 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.8075e-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 :   6.55E+002  atm-m3/mole  (6.64E+007 Pa-m3/mole)
   Group Method:   2.39E+003  atm-m3/mole  (2.42E+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:  1.739E+002 atm-m3/mole  (1.763E+007 Pa-m3/mole)
      VP:   9.84E-007 mm Hg (source: MPBPVP)
      WS:   2.83E-009 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  13.60  (KowWin est)
  Log Kaw used:  4.428  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.172
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7831
   Biowin2 (Non-Linear Model)     :   0.7841
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9544  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8366  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8156
   Biowin6 (MITI Non-Linear Model):   0.9097
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6912
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.9560
     BioHC Half-Life (days)     :  90.3707

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  8.21E-005 Pa (6.16E-007 mm Hg)
  Log Koa (Koawin est  ): 9.172
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0365 
       Octanol/air (Koa) model:  0.000365 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.569 
       Mackay model           :  0.745 
       Octanol/air (Koa) model:  0.0284 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.1323 E-12 cm3/molecule-sec
      Half-Life =     0.304 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.653 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.657 (Junge-Pankow, Mackay avg)
      0.0284 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.914E+007  L/kg (MCI method)
      Log Koc:  7.593       (MCI method)
      Koc    :  6.354E+011  L/kg (Kow method)
      Log Koc:  11.803      (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 = 0.889 (BCF = 7.753 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.8299 days (HL = 675.9 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.043 (BCF = 0.9061)
   Log BAF Arnot-Gobas method (upper trophic) = 1.770 (BAF = 58.83)
       log Kow used: 13.60 (estimated)

 Volatilization from Water:
    Henry LC:  655 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.991  hours
    Half-Life from Model Lake :      185.3  hours   (7.722 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       2.6             7.31         1000       
   Water     54.1            360          1000       
   Soil      43.2            720          1000       
   Sediment  0.0314          3.24e+003    0          
     Persistence Time: 211 hr