CAS Number: 14720-74-2
SMILES : CCCC(C)CC(C)(C)C
CHEM   : HEPTANE, 2,2,4-TRIMETHYL-
MOL FOR: C10 H22 
MOL WT : 142.29
------------------------------ 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) =  5.07
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  129.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -60.79  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.53  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  738  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  148.3 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.118
       log Kow used: 5.07 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.37827 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:   9.74E+000  atm-m3/mole  (9.87E+005 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:  9.261E-001 atm-m3/mole  (9.383E+004 Pa-m3/mole)
      VP:   5.53 mm Hg (source: MPBPVP)
      WS:   1.12 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.07  (KowWin est)
  Log Kaw used:  2.336  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.734
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4959
   Biowin2 (Non-Linear Model)     :   0.3241
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6726  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4890  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4561
   Biowin6 (MITI Non-Linear Model):   0.5257
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0161
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.1701
     BioHC Half-Life (days)     :  14.7931
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  679 Pa (5.09 mm Hg)
  Log Koa (Koawin est  ): 2.734
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.42E-009 
       Octanol/air (Koa) model:  1.33E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.6E-007 
       Mackay model           :  3.54E-007 
       Octanol/air (Koa) model:  1.06E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.7463 E-12 cm3/molecule-sec
      Half-Life =     1.381 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.569 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.57E-007 (Junge-Pankow, Mackay avg)
      1.06E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  835.5  L/kg (MCI method)
      Log Koc:  2.922       (MCI method)
      Koc    :  2.511E+004  L/kg (Kow method)
      Log Koc:  4.400       (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 = 3.011 (BCF = 1025 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4640 days (HL = 2.911 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.029 (BCF = 1068)
   Log BAF Arnot-Gobas method (upper trophic) = 3.049 (BAF = 1121)
       log Kow used: 5.07 (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:    49.38  percent
    Total to Air:               50.44  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       25.1            33.1         1000       
   Water     70.7            900          1000       
   Soil      0.888           1.8e+003     1000       
   Sediment  3.25            8.1e+003     0          
     Persistence Time: 111 hr