CAS Number: 1560-82-3
SMILES : C(CCCCCCCC(C)C)CCCCCCCCCCC
CHEM   : 
MOL FOR: C22 H46 
MOL WT : 310.61
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  11.07
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  350.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  59.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000126  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0168  (Modified Grain method)
    Subcooled liquid VP: 0.000266 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0355 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.082e-006
       log Kow used: 11.07 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.1061e-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 :   1.59E+002  atm-m3/mole  (1.61E+007 Pa-m3/mole)
   Group Method:   5.11E+002  atm-m3/mole  (5.18E+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:  4.759E+001 atm-m3/mole  (4.822E+006 Pa-m3/mole)
      VP:   0.000126 mm Hg (source: MPBPVP)
      WS:   1.08E-006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.07  (KowWin est)
  Log Kaw used:  3.813  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.257
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7081
   Biowin2 (Non-Linear Model)     :   0.6087
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8111  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6687  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6281
   Biowin6 (MITI Non-Linear Model):   0.7770
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5816
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.6853
     BioHC Half-Life (days)     :  48.4532
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0355 Pa (0.000266 mm Hg)
  Log Koa (Koawin est  ): 7.257
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.46E-005 
       Octanol/air (Koa) model:  4.44E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00305 
       Mackay model           :  0.00672 
       Octanol/air (Koa) model:  0.000355 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.0587 E-12 cm3/molecule-sec
      Half-Life =     0.381 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.574 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00488 (Junge-Pankow, Mackay avg)
      0.000355 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.638E+006  L/kg (MCI method)
      Log Koc:  6.214       (MCI method)
      Koc    :  4.048E+009  L/kg (Kow method)
      Log Koc:  9.607       (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 = 1.532 (BCF = 34.05 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.0829 days (HL = 121 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.395 (BCF = 2.483)
   Log BAF Arnot-Gobas method (upper trophic) = 3.619 (BAF = 4160)
       log Kow used: 11.07 (estimated)
 
 Volatilization from Water:
    Henry LC:  159 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.798  hours
    Half-Life from Model Lake :      167.4  hours   (6.975 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.18  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    92.44  percent
    Total to Air:                0.98  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.31            9.15         1000       
   Water     80.1            360          1000       
   Soil      13.9            720          1000       
   Sediment  0.66            3.24e+003    0          
     Persistence Time: 142 hr