CAS Num: 062016-37-9
SMILES : CCC(C)CC(C)CC(C)C
CHEM   : OCTANE, 2,4,6-TRIMETHYL-
MOL FOR: C11 H24 
MOL WT : 156.31
------------------------------ 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) =  5.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  146.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -66.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.87  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  783  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.3966
       log Kow used: 5.52 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.1377 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.04E+000  atm-m3/mole  (7.13E+005 Pa-m3/mole)
   Group Method:   1.65E+001  atm-m3/mole  (1.68E+006 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:  3.044E+000 atm-m3/mole  (3.084E+005 Pa-m3/mole)
      VP:   5.87 mm Hg (source: MPBPVP)
      WS:   0.397 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.52  (KowWin est)
  Log Kaw used:  2.459  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.061
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6731
   Biowin2 (Non-Linear Model)     :   0.6876
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8537  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6222  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2454
   Biowin6 (MITI Non-Linear Model):   0.2889
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0186
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.0775
     BioHC Half-Life (days)     :  11.9540

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  720 Pa (5.4 mm Hg)
  Log Koa (Koawin est  ): 3.061
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.17E-009 
       Octanol/air (Koa) model:  2.82E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.5E-007 
       Mackay model           :  3.33E-007 
       Octanol/air (Koa) model:  2.26E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.0676 E-12 cm3/molecule-sec
      Half-Life =     0.819 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.822 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.42E-007 (Junge-Pankow, Mackay avg)
      2.26E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1723  L/kg (MCI method)
      Log Koc:  3.236       (MCI method)
      Koc    :  6.172E+004  L/kg (Kow method)
      Log Koc:  4.790       (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 = 3.311 (BCF = 2047 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4839 days (HL = 3.047 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.054 (BCF = 1131)
   Log BAF Arnot-Gobas method (upper trophic) = 3.115 (BAF = 1303)
       log Kow used: 5.52 (estimated)

 Volatilization from Water:
    Henry LC:  7.04 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.276  hours
    Half-Life from Model Lake :      118.8  hours   (4.948 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.97  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    55.75  percent
    Total to Air:               44.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       21.4            19.6         1000       
   Water     73.2            360          1000       
   Soil      1.36            720          1000       
   Sediment  4.12            3.24e+003    0          
     Persistence Time: 84.5 hr