CAS Number: 55030-62-1
SMILES : CCCCCC(C)CCCC(C)CCC
CHEM   : TRIDECANE, 4,8-DIMETHYL-
MOL FOR: C15 H32 
MOL WT : 212.42
------------------------------ 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) =  7.56
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  239.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -9.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.075  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  10  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.003826
       log Kow used: 7.56 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00079401 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:   5.48E+001  atm-m3/mole  (5.55E+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:  5.479E+000 atm-m3/mole  (5.552E+005 Pa-m3/mole)
      VP:   0.075 mm Hg (source: MPBPVP)
      WS:   0.00383 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.56  (KowWin est)
  Log Kaw used:  2.952  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.608
      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)    :   0.4252
   Biowin6 (MITI Non-Linear Model):   0.5342
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1023
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.2818
     BioHC Half-Life (days)     :  19.1344
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  9.6 Pa (0.072 mm Hg)
  Log Koa (Koawin est  ): 4.608
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.12E-007 
       Octanol/air (Koa) model:  9.95E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.13E-005 
       Mackay model           :  2.5E-005 
       Octanol/air (Koa) model:  7.96E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.7282 E-12 cm3/molecule-sec
      Half-Life =     0.571 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.853 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.81E-005 (Junge-Pankow, Mackay avg)
      7.96E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.26E+004  L/kg (MCI method)
      Log Koc:  4.354       (MCI method)
      Koc    :  3.639E+006  L/kg (Kow method)
      Log Koc:  6.561       (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 = 3.253 (BCF = 1789 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0918 days (HL = 12.35 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.737 (BCF = 545.5)
   Log BAF Arnot-Gobas method (upper trophic) = 4.751 (BAF = 5.635e+004)
       log Kow used: 7.56 (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:              99.51  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    62.59  percent
    Total to Air:               36.69  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       10              13.7         1000       
   Water     71              360          1000       
   Soil      2.2             720          1000       
   Sediment  16.8            3.24e+003    0          
     Persistence Time: 122 hr