CAS Number: 68551-20-2
SMILES : C(C)(C)C(C)(C)C(C)(C)C(C)(C)C=C
CHEM   : Alkanes, C13-16-iso-
MOL FOR: C14 H28 
MOL WT : 196.38
------------------------------ 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) =  6.67
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  171.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -24.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.95  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  260  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0265
       log Kow used: 6.67 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.10367 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.46E+000  atm-m3/mole  (3.51E+005 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.901E+001 atm-m3/mole  (1.927E+006 Pa-m3/mole)
      VP:   1.95 mm Hg (source: MPBPVP)
      WS:   0.0265 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.67  (KowWin est)
  Log Kaw used:  2.151  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.519
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1023
   Biowin2 (Non-Linear Model)     :   0.0070
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1288  (months      )
   Biowin4 (Primary Survey Model) :   3.1041  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3019
   Biowin6 (MITI Non-Linear Model):   0.1412
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1896
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   2.0093
     BioHC Half-Life (days)     : 102.1709
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  237 Pa (1.78 mm Hg)
  Log Koa (Koawin est  ): 4.519
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.26E-008 
       Octanol/air (Koa) model:  8.11E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.57E-007 
       Mackay model           :  1.01E-006 
       Octanol/air (Koa) model:  6.49E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.0244 E-12 cm3/molecule-sec
      Half-Life =     0.356 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.275 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      7.34E-007 (Junge-Pankow, Mackay avg)
      6.49E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5367  L/kg (MCI method)
      Log Koc:  3.730       (MCI method)
      Koc    :  6.145E+005  L/kg (Kow method)
      Log Koc:  5.788       (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 = 4.070 (BCF = 1.176e+004 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1813 days (HL = 15.18 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.431 (BCF = 2699)
   Log BAF Arnot-Gobas method (upper trophic) = 4.940 (BAF = 8.704e+004)
       log Kow used: 6.67 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.46 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.43  hours
    Half-Life from Model Lake :      133.1  hours   (5.546 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.56  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    61.85  percent
    Total to Air:               37.49  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.5             8.11         1000       
   Water     68.6            1.44e+003    1000       
   Soil      2.69            2.88e+003    1000       
   Sediment  22.2            1.3e+004     0          
     Persistence Time: 138 hr