CAS Number: 592-27-8
SMILES : CC(C)CCCCC
CHEM   : 2-Methylheptane
MOL FOR: C8 H18 
MOL WT : 114.23
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  4.20
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  105.69  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -80.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  45  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  6E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -105 deg C
    BP  (exp database):  99 deg C
    VP  (exp database):  5.15E+01 mm Hg (6.87E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.965
       log Kow used: 4.20 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.4632 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.01E+000  atm-m3/mole  (3.05E+005 Pa-m3/mole)
   Group Method:   4.06E+000  atm-m3/mole  (4.11E+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:  8.492E-001 atm-m3/mole  (8.604E+004 Pa-m3/mole)
      VP:   45 mm Hg (source: MPBPVP)
      WS:   7.96 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.20  (KowWin est)
  Log Kaw used:  2.090  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.110
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8016
   Biowin2 (Non-Linear Model)     :   0.9620
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2451  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9520  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5205
   Biowin6 (MITI Non-Linear Model):   0.7119
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2177
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7557
     BioHC Half-Life (days)     :   5.6978
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.87E+003 Pa (51.5 mm Hg)
  Log Koa (Koawin est  ): 2.110
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.37E-010 
       Octanol/air (Koa) model:  3.16E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.58E-008 
       Mackay model           :  3.5E-008 
       Octanol/air (Koa) model:  2.53E-009 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.2760 E-12 cm3/molecule-sec
      Half-Life =     1.292 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.509 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.54E-008 (Junge-Pankow, Mackay avg)
      2.53E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  367.4  L/kg (MCI method)
      Log Koc:  2.565       (MCI method)
      Koc    :  4413  L/kg (Kow method)
      Log Koc:  3.645       (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 = 2.436 (BCF = 272.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1348 days (HL = 1.364 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.629 (BCF = 425.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.629 (BAF = 425.8)
       log Kow used: 4.20 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.01 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.091  hours
    Half-Life from Model Lake :      101.5  hours   (4.23 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.93  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    23.24  percent
    Total to Air:               76.61  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       28.6            31           1000       
   Water     69.3            360          1000       
   Soil      1.03            720          1000       
   Sediment  1.06            3.24e+003    0          
     Persistence Time: 88.6 hr