CAS Num: 000629-23-2
SMILES : O=C(CC)CCCCCCCCCCC
CHEM   : 3-TETRADECANONE
MOL FOR: C14 H28 O1 
MOL WT : 212.38
------------------------------ 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) =  5.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  276.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  36.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00976  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.3  (Modified Grain method)
    MP  (exp database):  34 deg C
    Subcooled liquid VP: 0.0118 mm Hg (25 deg C, Mod-Grain method)
                       : 1.57 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.46
       log Kow used: 5.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.2113 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.12E-003  atm-m3/mole  (1.13E+002 Pa-m3/mole)
   Group Method:   1.77E-003  atm-m3/mole  (1.80E+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:  1.868E-003 atm-m3/mole  (1.893E+002 Pa-m3/mole)
      VP:   0.00976 mm Hg (source: MPBPVP)
      WS:   1.46 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.17  (KowWin est)
  Log Kaw used:  -1.339  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.509
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7617
   Biowin2 (Non-Linear Model)     :   0.7996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0057  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7882  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7425
   Biowin6 (MITI Non-Linear Model):   0.8799
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2532
 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):  1.57 Pa (0.0118 mm Hg)
  Log Koa (Koawin est  ): 6.509
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.91E-006 
       Octanol/air (Koa) model:  7.93E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.89E-005 
       Mackay model           :  0.000153 
       Octanol/air (Koa) model:  6.34E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.7804 E-12 cm3/molecule-sec
      Half-Life =     0.602 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.219 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000111 (Junge-Pankow, Mackay avg)
      6.34E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1908  L/kg (MCI method)
      Log Koc:  3.280       (MCI method)
      Koc    :  9558  L/kg (Kow method)
      Log Koc:  3.980       (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 = 1.702 (BCF = 50.34 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1167 days (HL = 1.308 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.713 (BCF = 516.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.719 (BAF = 523)
       log Kow used: 5.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.00177 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.969  hours
    Half-Life from Model Lake :      143.7  hours   (5.987 days)

 Removal In Wastewater Treatment:
    Total removal:              85.04  percent
    Total biodegradation:        0.63  percent
    Total sludge adsorption:    77.07  percent
    Total to Air:                7.35  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.4             14.4         1000       
   Water     17.5            360          1000       
   Soil      79              720          1000       
   Sediment  1.09            3.24e+003    0          
     Persistence Time: 375 hr