CAS Num: 000112-40-3
SMILES : C(CCCCCCCCCC)C
CHEM   : Dodecane
MOL FOR: C12 H26 
MOL WT : 170.34
------------------------------ 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) =  6.23
    Log Kow (Exper. database match) =  6.10
       Exper. Ref:  COATES,M ET AL. (1985)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  205.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -20.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.236  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  31.5  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -9.6 deg C
    BP  (exp database):  216.3 deg C
    VP  (exp database):  1.35E-01 mm Hg (1.80E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1099
       log Kow used: 6.10 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.0037 mg/L (25 deg C)
        Exper. Ref:  KERTES,AS (1989)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0092579 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.35E+000  atm-m3/mole  (9.47E+005 Pa-m3/mole)
   Group Method:   1.34E+001  atm-m3/mole  (1.36E+006 Pa-m3/mole)
   Exper Database: 8.18E+00  atm-m3/mole  (8.29E+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:  4.813E-001 atm-m3/mole  (4.877E+004 Pa-m3/mole)
      VP:   0.236 mm Hg (source: MPBPVP)
      WS:   0.11 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.10  (exp database)
  Log Kaw used:  2.524  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.576
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8833
   Biowin2 (Non-Linear Model)     :   0.9863
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4194  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1401  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7004
   Biowin6 (MITI Non-Linear Model):   0.8746
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3014
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.0705
     BioHC Half-Life (days)     :  11.7613

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  18 Pa (0.135 mm Hg)
  Log Koa (Koawin est  ): 3.576
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.67E-007 
       Octanol/air (Koa) model:  9.25E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.02E-006 
       Mackay model           :  1.33E-005 
       Octanol/air (Koa) model:  7.4E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.9366 E-12 cm3/molecule-sec
      Half-Life =     0.767 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.210 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.68E-006 (Junge-Pankow, Mackay avg)
      7.4E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4818  L/kg (MCI method)
      Log Koc:  3.683       (MCI method)
      Koc    :  1.967E+005  L/kg (Kow method)
      Log Koc:  5.294       (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 = 2.317 (BCF = 207.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7012 days (HL = 5.026 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.777 (BCF = 597.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.859 (BAF = 723.4)
       log Kow used: 6.10 (expkow database)

 Volatilization from Water:
    Henry LC:  8.18 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.332  hours
    Half-Life from Model Lake :        124  hours   (5.165 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.94  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    59.00  percent
    Total to Air:               40.76  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       22.4            18.1         1000       
   Water     69              208          1000       
   Soil      2.51            416          1000       
   Sediment  6.15            1.87e+003    0          
     Persistence Time: 72.1 hr