CAS Number: 68067-35-6
SMILES : O=C(CCCCCCC(C)C)C
CHEM   : 9-methyldecan-2-one
MOL FOR: C11 H22 O1 
MOL WT : 170.30
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  3.62
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  212.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -7.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.284  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  37.8  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  49.63
       log Kow used: 3.62 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  66.473 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:   7.56E-004  atm-m3/mole  (7.66E+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:  1.282E-003 atm-m3/mole  (1.299E+002 Pa-m3/mole)
      VP:   0.284 mm Hg (source: MPBPVP)
      WS:   49.6 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.62  (KowWin est)
  Log Kaw used:  -1.709  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.329
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6733
   Biowin2 (Non-Linear Model)     :   0.5343
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8004  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5798  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5703
   Biowin6 (MITI Non-Linear Model):   0.7268
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1956
 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):  35.1 Pa (0.263 mm Hg)
  Log Koa (Koawin est  ): 5.329
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.56E-008 
       Octanol/air (Koa) model:  5.24E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.09E-006 
       Mackay model           :  6.84E-006 
       Octanol/air (Koa) model:  4.19E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.8170 E-12 cm3/molecule-sec
      Half-Life =     0.774 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.289 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.97E-006 (Junge-Pankow, Mackay avg)
      4.19E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  253.3  L/kg (MCI method)
      Log Koc:  2.404       (MCI method)
      Koc    :  1327  L/kg (Kow method)
      Log Koc:  3.123       (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 v3.01):
   Log BCF from regression-based method = 2.056 (BCF = 113.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3520 days (HL = 0.4447 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.119 (BCF = 131.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.119 (BAF = 131.5)
       log Kow used: 3.62 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000756 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.342  hours
    Half-Life from Model Lake :        135  hours   (5.624 days)
 
 Removal In Wastewater Treatment:
    Total removal:              35.14  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    14.17  percent
    Total to Air:               20.80  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.95            18.6         1000       
   Water     23.2            360          1000       
   Soil      72.6            720          1000       
   Sediment  0.264           3.24e+003    0          
     Persistence Time: 308 hr