CAS Num: 000629-50-5
SMILES : C(CCCCCCCCCCC)C
CHEM   : Tridecane
MOL FOR: C13 H28 
MOL WT : 184.37
------------------------------ 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) =  6.73

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  224.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -9.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0921  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  12.3  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -5.3 deg C
    BP  (exp database):  235.4 deg C
    VP  (exp database):  5.58E-02 mm Hg (7.44E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.02746
       log Kow used: 6.73 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.0047 mg/L (25 deg C)
        Exper. Ref:  COATES,M ET AL. (1985)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0029098 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.24E+001  atm-m3/mole  (1.26E+006 Pa-m3/mole)
   Group Method:   1.90E+001  atm-m3/mole  (1.92E+006 Pa-m3/mole)
   Exper Database: 2.88E+00  atm-m3/mole  (2.92E+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:  8.136E-001 atm-m3/mole  (8.244E+004 Pa-m3/mole)
      VP:   0.0921 mm Hg (source: MPBPVP)
      WS:   0.0275 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.73  (KowWin est)
  Log Kaw used:  2.071  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.659
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8766
   Biowin2 (Non-Linear Model)     :   0.9833
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3884  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1199  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7080
   Biowin6 (MITI Non-Linear Model):   0.8772
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3274
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.1369
     BioHC Half-Life (days)     :  13.7043

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  7.44 Pa (0.0558 mm Hg)
  Log Koa (Koawin est  ): 4.659
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.03E-007 
       Octanol/air (Koa) model:  1.12E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.46E-005 
       Mackay model           :  3.23E-005 
       Octanol/air (Koa) model:  8.96E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.3496 E-12 cm3/molecule-sec
      Half-Life =     0.697 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.362 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.34E-005 (Junge-Pankow, Mackay avg)
      8.96E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8781  L/kg (MCI method)
      Log Koc:  3.944       (MCI method)
      Koc    :  6.927E+005  L/kg (Kow method)
      Log Koc:  5.841       (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 = 2.730 (BCF = 537.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8818 days (HL = 7.617 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.276 (BCF = 1889)
   Log BAF Arnot-Gobas method (upper trophic) = 4.601 (BAF = 3.993e+004)
       log Kow used: 6.73 (estimated)

 Volatilization from Water:
    Henry LC:  2.88 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.386  hours
    Half-Life from Model Lake :        129  hours   (5.374 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.42  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    62.68  percent
    Total to Air:               36.51  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       17.8            16           1000       
   Water     65.6            208          1000       
   Soil      8.04            416          1000       
   Sediment  8.6             1.87e+003    0          
     Persistence Time: 80.3 hr