CAS Num: 018435-22-8
SMILES : CCCCCCCCCCCC(C)CC
CHEM   : TETRADECANE, 3-METHYL-
MOL FOR: C15 H32 
MOL WT : 212.42
------------------------------ 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) =  7.63

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  250.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  1.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0436  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.82  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.003311
       log Kow used: 7.63 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00047379 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.19E+001  atm-m3/mole  (2.22E+006 Pa-m3/mole)
   Group Method:   4.55E+001  atm-m3/mole  (4.62E+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:  3.681E+000 atm-m3/mole  (3.729E+005 Pa-m3/mole)
      VP:   0.0436 mm Hg (source: MPBPVP)
      WS:   0.00331 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.63  (KowWin est)
  Log Kaw used:  2.952  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.678
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7548
   Biowin2 (Non-Linear Model)     :   0.8625
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0281  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8103  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5743
   Biowin6 (MITI Non-Linear Model):   0.7458
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3997
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.2205
     BioHC Half-Life (days)     :  16.6156

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.69 Pa (0.0427 mm Hg)
  Log Koa (Koawin est  ): 4.678
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.27E-007 
       Octanol/air (Koa) model:  1.17E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.9E-005 
       Mackay model           :  4.22E-005 
       Octanol/air (Koa) model:  9.36E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.4519 E-12 cm3/molecule-sec
      Half-Life =     0.580 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.956 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.06E-005 (Junge-Pankow, Mackay avg)
      9.36E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.567E+004  L/kg (MCI method)
      Log Koc:  4.409       (MCI method)
      Koc    :  4.185E+006  L/kg (Kow method)
      Log Koc:  6.622       (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 = 3.217 (BCF = 1647 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1088 days (HL = 12.85 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.689 (BCF = 488.7)
   Log BAF Arnot-Gobas method (upper trophic) = 4.766 (BAF = 5.84e+004)
       log Kow used: 7.63 (estimated)

 Volatilization from Water:
    Henry LC:  21.9 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.487  hours
    Half-Life from Model Lake :      138.4  hours   (5.768 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.43  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    63.03  percent
    Total to Air:               36.17  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.81            13.9         1000       
   Water     70.7            360          1000       
   Soil      2.36            720          1000       
   Sediment  17.1            3.24e+003    0          
     Persistence Time: 125 hr