CAS Num: 000112-12-9
SMILES : O=C(CCCCCCCCC)C
CHEM   : 2-Undecanone
MOL FOR: C11 H22 O1 
MOL WT : 170.30
------------------------------ 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) =  3.69
    Log Kow (Exper. database match) =  4.09
       Exper. Ref:  TANII,H & HASHIMOTO,K (1986)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  224.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  3.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.112  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  14.9  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  15 deg C
    BP  (exp database):  231.5 deg C
    VP  (exp database):  4.14E-02 mm Hg (5.52E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  19.71
       log Kow used: 4.09 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  39.664 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.78E-004  atm-m3/mole  (4.84E+001 Pa-m3/mole)
   Group Method:   6.29E-004  atm-m3/mole  (6.37E+001 Pa-m3/mole)
   Exper Database: 6.36E-05  atm-m3/mole  (6.44E+000 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:  1.273E-003 atm-m3/mole  (1.290E+002 Pa-m3/mole)
      VP:   0.112 mm Hg (source: MPBPVP)
      WS:   19.7 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.09  (exp database)
  Log Kaw used:  -2.585  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.675
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7817
   Biowin2 (Non-Linear Model)     :   0.8788
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0987  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8489  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7194
   Biowin6 (MITI Non-Linear Model):   0.8719
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1752
 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):  5.52 Pa (0.0414 mm Hg)
  Log Koa (Koawin est  ): 6.675
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.43E-007 
       Octanol/air (Koa) model:  1.16E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.96E-005 
       Mackay model           :  4.35E-005 
       Octanol/air (Koa) model:  9.29E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.8254 E-12 cm3/molecule-sec
      Half-Life =     0.774 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.284 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.16E-005 (Junge-Pankow, Mackay avg)
      9.29E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  301.1  L/kg (MCI method)
      Log Koc:  2.479       (MCI method)
      Koc    :  2415  L/kg (Kow method)
      Log Koc:  3.383       (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 = 0.991 (BCF = 9.801 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1790 days (HL = 0.6623 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.362 (BCF = 230.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.362 (BAF = 230.4)
       log Kow used: 4.09 (expkow database)

 Volatilization from Water:
    Henry LC:  6.36E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      13.34  hours
    Half-Life from Model Lake :        255  hours   (10.63 days)

 Removal In Wastewater Treatment:
    Total removal:              36.05  percent
    Total biodegradation:        0.35  percent
    Total sludge adsorption:    33.58  percent
    Total to Air:                2.12  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.93            18.6         1000       
   Water     23.3            360          1000       
   Soil      74.4            720          1000       
   Sediment  0.305           3.24e+003    0          
     Persistence Time: 432 hr