CAS Num: 002345-28-0
SMILES : O=C(CCCCCCCCCCCCC)C
CHEM   : 2-Pentadecanone
MOL FOR: C15 H30 O1 
MOL WT : 226.41
------------------------------ 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) =  5.66

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  291.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  46.20  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00359  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.478  (Modified Grain method)
    MP  (exp database):  39.5 deg C
    BP  (exp database):  294 deg C
    Subcooled liquid VP: 0.00485 mm Hg (25 deg C, Mod-Grain method)
                       : 0.646 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.4683
       log Kow used: 5.66 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.37497 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.48E-003  atm-m3/mole  (1.50E+002 Pa-m3/mole)
   Group Method:   2.50E-003  atm-m3/mole  (2.54E+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:  2.284E-003 atm-m3/mole  (2.314E+002 Pa-m3/mole)
      VP:   0.00359 mm Hg (source: MPBPVP)
      WS:   0.468 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.66  (KowWin est)
  Log Kaw used:  -1.218  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.878
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7550
   Biowin2 (Non-Linear Model)     :   0.7657
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9747  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7679  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7501
   Biowin6 (MITI Non-Linear Model):   0.8824
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2792
 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):  0.647 Pa (0.00485 mm Hg)
  Log Koa (Koawin est  ): 6.878
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.64E-006 
       Octanol/air (Koa) model:  1.85E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000168 
       Mackay model           :  0.000371 
       Octanol/air (Koa) model:  0.000148 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.4776 E-12 cm3/molecule-sec
      Half-Life =     0.549 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.590 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000269 (Junge-Pankow, Mackay avg)
      0.000148 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3321  L/kg (MCI method)
      Log Koc:  3.521       (MCI method)
      Koc    :  1.784E+004  L/kg (Kow method)
      Log Koc:  4.251       (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 = 2.026 (BCF = 106.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2559 days (HL = 1.802 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.830 (BCF = 676.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.862 (BAF = 728.1)
       log Kow used: 5.66 (estimated)

 Volatilization from Water:
    Henry LC:  0.0025 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.888  hours
    Half-Life from Model Lake :      146.8  hours   (6.115 days)

 Removal In Wastewater Treatment:
    Total removal:              90.87  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    86.38  percent
    Total to Air:                3.78  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.14            13.2         1000       
   Water     16.8            360          1000       
   Soil      79.3            720          1000       
   Sediment  1.72            3.24e+003    0          
     Persistence Time: 385 hr