CAS Number: 7207-49-0
SMILES : N(O)=C(CCCCCC)C
CHEM   : 2-Octanone, oxime
MOL FOR: C8 H17 N1 O1 
MOL WT : 143.23
------------------------------ 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) =  3.66
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  236.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -12.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00748  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.998  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  61.04
       log Kow used: 3.66 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  23.505 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.22E-005  atm-m3/mole  (3.26E+000 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.309E-005 atm-m3/mole  (2.340E+000 Pa-m3/mole)
      VP:   0.00748 mm Hg (source: MPBPVP)
      WS:   61 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.66  (KowWin est)
  Log Kaw used:  -2.881  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.541
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7878
   Biowin2 (Non-Linear Model)     :   0.9437
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1810  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9102  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5339
   Biowin6 (MITI Non-Linear Model):   0.6404
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4892
 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):  0.941 Pa (0.00706 mm Hg)
  Log Koa (Koawin est  ): 6.541
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.19E-006 
       Octanol/air (Koa) model:  8.53E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000115 
       Mackay model           :  0.000255 
       Octanol/air (Koa) model:  6.82E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.1356 E-12 cm3/molecule-sec
      Half-Life =     1.499 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.988 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000185 (Junge-Pankow, Mackay avg)
      6.82E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1277  L/kg (MCI method)
      Log Koc:  3.106       (MCI method)
      Koc    :  1500  L/kg (Kow method)
      Log Koc:  3.176       (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 = 2.080 (BCF = 120.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1349 days (HL = 0.733 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.274 (BCF = 187.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.274 (BAF = 187.8)
       log Kow used: 3.66 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.22E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      22.98  hours
    Half-Life from Model Lake :      351.1  hours   (14.63 days)
 
 Removal In Wastewater Treatment:
    Total removal:              18.52  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    16.86  percent
    Total to Air:                1.44  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.64            36           1000       
   Water     22.8            360          1000       
   Soil      73.6            720          1000       
   Sediment  0.996           3.24e+003    0          
     Persistence Time: 465 hr