CAS Num: 002613-61-8
SMILES : CC(CC(C)C)CC(C)C
CHEM   : 2,4,6-TRIMETHYLHEPTANE
MOL FOR: C10 H22 
MOL WT : 142.29
------------------------------ 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) =  5.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  124.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -78.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.71  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  761  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  147.6 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.2
       log Kow used: 5.03 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.43165 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.30E+000  atm-m3/mole  (5.37E+005 Pa-m3/mole)
   Group Method:   1.17E+001  atm-m3/mole  (1.19E+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:  8.909E-001 atm-m3/mole  (9.027E+004 Pa-m3/mole)
      VP:   5.71 mm Hg (source: MPBPVP)
      WS:   1.2 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.03  (KowWin est)
  Log Kaw used:  2.336  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.694
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6798
   Biowin2 (Non-Linear Model)     :   0.7287
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8847  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6425  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2377
   Biowin6 (MITI Non-Linear Model):   0.2839
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0073
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.0111
     BioHC Half-Life (days)     :  10.2591

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  700 Pa (5.25 mm Hg)
  Log Koa (Koawin est  ): 2.694
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.29E-009 
       Octanol/air (Koa) model:  1.21E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.55E-007 
       Mackay model           :  3.43E-007 
       Octanol/air (Koa) model:  9.71E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.3699 E-12 cm3/molecule-sec
      Half-Life =     0.941 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.289 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.49E-007 (Junge-Pankow, Mackay avg)
      9.71E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  903.5  L/kg (MCI method)
      Log Koc:  2.956       (MCI method)
      Koc    :  2.318E+004  L/kg (Kow method)
      Log Koc:  4.365       (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 = 2.987 (BCF = 970.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3448 days (HL = 2.212 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.921 (BCF = 832.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.932 (BAF = 855.2)
       log Kow used: 5.03 (estimated)

 Volatilization from Water:
    Henry LC:  5.3 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.217  hours
    Half-Life from Model Lake :      113.3  hours   (4.721 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.97  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:    48.55  percent
    Total to Air:               51.27  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       23.8            22.6         1000       
   Water     72.7            360          1000       
   Soil      1.19            720          1000       
   Sediment  2.34            3.24e+003    0          
     Persistence Time: 84.7 hr