CAS Num: 069178-43-4
SMILES : CC(CCCCC(OCC)OCC)C
CHEM   : Isooctane, 1,1-diethoxy-
MOL FOR: C12 H26 O2 
MOL WT : 202.34
------------------------------ 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) =  4.08

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  222.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -8.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.174  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  23.3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  14.01
       log Kow used: 4.08 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  62.327 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.48E-004  atm-m3/mole  (6.56E+001 Pa-m3/mole)
   Group Method:   9.52E-004  atm-m3/mole  (9.64E+001 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:  3.307E-003 atm-m3/mole  (3.350E+002 Pa-m3/mole)
      VP:   0.174 mm Hg (source: MPBPVP)
      WS:   14 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.08  (KowWin est)
  Log Kaw used:  -1.577  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.657
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0435
   Biowin2 (Non-Linear Model)     :   0.0012
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7347  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5363  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3099
   Biowin6 (MITI Non-Linear Model):   0.2545
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1725
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  21.7 Pa (0.163 mm Hg)
  Log Koa (Koawin est  ): 5.657
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.38E-007 
       Octanol/air (Koa) model:  1.11E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.99E-006 
       Mackay model           :  1.1E-005 
       Octanol/air (Koa) model:  8.91E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.4532 E-12 cm3/molecule-sec
      Half-Life =     0.363 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.358 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      8.01E-006 (Junge-Pankow, Mackay avg)
      8.91E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  224  L/kg (MCI method)
      Log Koc:  2.350       (MCI method)
      Koc    :  1002  L/kg (Kow method)
      Log Koc:  3.001       (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 = 2.358 (BCF = 227.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1060 days (HL = 0.7834 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.418 (BCF = 262.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.419 (BAF = 262.2)
       log Kow used: 4.08 (estimated)

 Volatilization from Water:
    Henry LC:  0.000648 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.737  hours
    Half-Life from Model Lake :      149.1  hours   (6.214 days)

 Removal In Wastewater Treatment:
    Total removal:              45.86  percent
    Total biodegradation:        0.30  percent
    Total sludge adsorption:    30.85  percent
    Total to Air:               14.71  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.61            8.72         1000       
   Water     20.5            900          1000       
   Soil      77.6            1.8e+003     1000       
   Sediment  0.266           8.1e+003     0          
     Persistence Time: 476 hr