CAS Number: 54833-48-6
SMILES : CC(CCCC(CCCC(CCCCC(CC)C)C)C)C
CHEM   : 2,6,10,15-TETRAMETHYLHEPTADECANE
MOL FOR: C21 H44 
MOL WT : 296.59
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  10.36
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  315.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  6.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00162  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.217  (Modified Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.298e-006
       log Kow used: 10.36 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.867e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    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:   6.29E+002  atm-m3/mole  (6.37E+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:  1.193E+002 atm-m3/mole  (1.209E+007 Pa-m3/mole)
      VP:   0.00162 mm Hg (source: MPBPVP)
      WS:   5.3E-006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.36  (KowWin est)
  Log Kaw used:  3.691  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.669
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6063
   Biowin2 (Non-Linear Model)     :   0.2310
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5438  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4198  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1732
   Biowin6 (MITI Non-Linear Model):   0.1688
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0189
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.8028
     BioHC Half-Life (days)     :  63.5074
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.216 Pa (0.00162 mm Hg)
  Log Koa (Koawin est  ): 6.669
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.39E-005 
       Octanol/air (Koa) model:  1.15E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000501 
       Mackay model           :  0.00111 
       Octanol/air (Koa) model:  9.16E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.4743 E-12 cm3/molecule-sec
      Half-Life =     0.389 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.672 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000806 (Junge-Pankow, Mackay avg)
      9.16E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6.132E+005  L/kg (MCI method)
      Log Koc:  5.788       (MCI method)
      Koc    :  9.796E+008  L/kg (Kow method)
      Log Koc:  8.991       (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 v3.01):
   Log BCF from regression-based method = 1.881 (BCF = 76.01 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.8584 days (HL = 72.17 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.796 (BCF = 6.245)
   Log BAF Arnot-Gobas method (upper trophic) = 3.994 (BAF = 9852)
       log Kow used: 10.36 (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:              94.56  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    90.30  percent
    Total to Air:                3.54  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.71            9.34         1000       
   Water     88.5            900          1000       
   Soil      4.98            1.8e+003     1000       
   Sediment  2.82            8.1e+003     0          
     Persistence Time: 212 hr