CAS Num: 000693-54-9
SMILES : O=C(CCCCCCCC)C
CHEM   : 2-Decanone
MOL FOR: C10 H20 O1 
MOL WT : 156.27
------------------------------ 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) =  3.20
    Log Kow (Exper. database match) =  3.73
       Exper. Ref:  TANII,H ET AL. (1986)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  204.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -7.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.321  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  42.7  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  14 deg C
    BP  (exp database):  210 deg C
    VP  (exp database):  2.69E-01 mm Hg (3.59E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  46.43
       log Kow used: 3.73 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  76.8 mg/L (25 deg C)
        Exper. Ref:  WASIK,SP ET AL. (1981)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  125.34 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.60E-004  atm-m3/mole  (3.65E+001 Pa-m3/mole)
   Group Method:   4.45E-004  atm-m3/mole  (4.51E+001 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:  1.422E-003 atm-m3/mole  (1.440E+002 Pa-m3/mole)
      VP:   0.321 mm Hg (source: MPBPVP)
      WS:   46.4 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.73  (exp database)
  Log Kaw used:  -1.832  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.562
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7884
   Biowin2 (Non-Linear Model)     :   0.8985
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1297  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8691  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7117
   Biowin6 (MITI Non-Linear Model):   0.8691
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1492
 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):  35.9 Pa (0.269 mm Hg)
  Log Koa (Koawin est  ): 5.562
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.36E-008 
       Octanol/air (Koa) model:  8.95E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.02E-006 
       Mackay model           :  6.69E-006 
       Octanol/air (Koa) model:  7.16E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.4123 E-12 cm3/molecule-sec
      Half-Life =     0.862 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.341 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.86E-006 (Junge-Pankow, Mackay avg)
      7.16E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  165.2  L/kg (MCI method)
      Log Koc:  2.218       (MCI method)
      Koc    :  1527  L/kg (Kow method)
      Log Koc:  3.184       (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 = 2.128 (BCF = 134.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2778 days (HL = 0.5274 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.204 (BCF = 159.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.204 (BAF = 159.9)
       log Kow used: 3.73 (expkow database)

 Volatilization from Water:
    Henry LC:  0.000445 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2.92  hours
    Half-Life from Model Lake :      136.7  hours   (5.695 days)

 Removal In Wastewater Treatment:
    Total removal:              31.57  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    17.83  percent
    Total to Air:               13.53  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.82            19.4         1000       
   Water     24.1            360          1000       
   Soil      71.9            720          1000       
   Sediment  0.2             3.24e+003    0          
     Persistence Time: 318 hr