CAS Num: 000629-80-1
SMILES : O=CCCCCCCCCCCCCCCC
CHEM   : Hexadecanal
MOL FOR: C16 H32 O1 
MOL WT : 240.43
------------------------------ 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) =  6.71

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  314.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  46.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00072  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.096  (Modified Grain method)
    MP  (exp database):  35 deg C
    Subcooled liquid VP: 0.000885 mm Hg (25 deg C, Mod-Grain method)
                       : 0.118 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.04974
       log Kow used: 6.71 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.078879 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.58E-003  atm-m3/mole  (3.63E+002 Pa-m3/mole)
   Group Method:   7.56E-003  atm-m3/mole  (7.66E+002 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:  4.579E-003 atm-m3/mole  (4.640E+002 Pa-m3/mole)
      VP:   0.00072 mm Hg (source: MPBPVP)
      WS:   0.0497 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.71  (KowWin est)
  Log Kaw used:  -0.835  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.545
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0261
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9885  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9666  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1005
   Biowin6 (MITI Non-Linear Model):   0.9874
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9252
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.118 Pa (0.000885 mm Hg)
  Log Koa (Koawin est  ): 7.545
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.54E-005 
       Octanol/air (Koa) model:  8.61E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000917 
       Mackay model           :  0.00203 
       Octanol/air (Koa) model:  0.000688 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  42.9616 E-12 cm3/molecule-sec
      Half-Life =     0.249 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.988 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00147 (Junge-Pankow, Mackay avg)
      0.000688 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2407  L/kg (MCI method)
      Log Koc:  3.381       (MCI method)
      Koc    :  2.555E+004  L/kg (Kow method)
      Log Koc:  4.407       (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 = 2.720 (BCF = 524.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7728 days (HL = 5.927 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.051 (BCF = 1123)
   Log BAF Arnot-Gobas method (upper trophic) = 3.956 (BAF = 9038)
       log Kow used: 6.71 (estimated)

 Volatilization from Water:
    Henry LC:  0.00756 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.702  hours
    Half-Life from Model Lake :      148.6  hours   (6.191 days)

 Removal In Wastewater Treatment:
    Total removal:              93.83  percent
    Total biodegradation:        0.76  percent
    Total sludge adsorption:    91.99  percent
    Total to Air:                1.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.54            5.98         1000       
   Water     22.9            360          1000       
   Soil      74.1            720          1000       
   Sediment  1.42            3.24e+003    0          
     Persistence Time: 300 hr