CAS Number: 61788-90-7
SMILES : CCCCCCCCCCCCN(C)(C)=O
CHEM   : Amines, coco alkyldimethyl, N-oxides
MOL FOR: C14 H31 N1 O1 
MOL WT : 229.41
------------------------------ 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) =  4.67
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  426.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  167.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.57E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.1E-005  (Modified Grain method)
    MP  (exp database):  132-133 deg C
    Subcooled liquid VP: 1.86E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000248 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.132
       log Kow used: 4.67 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.9e+005 mg/L (25 deg C)
        Exper. Ref:  BROWN,SL ET AL. (1975C)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.054803 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.61E-011  atm-m3/mole  (6.70E-006 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:  1.513E-008 atm-m3/mole  (1.533E-003 Pa-m3/mole)
      VP:   1.57E-007 mm Hg (source: MPBPVP)
      WS:   3.13 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.67  (KowWin est)
  Log Kaw used:  -8.568  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.238
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7468
   Biowin2 (Non-Linear Model)     :   0.8313
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9905  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7858  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5652
   Biowin6 (MITI Non-Linear Model):   0.7192
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1278
 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):  0.000248 Pa (1.86E-006 mm Hg)
  Log Koa (Koawin est  ): 13.238
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0121 
       Octanol/air (Koa) model:  4.25 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.304 
       Mackay model           :  0.492 
       Octanol/air (Koa) model:  0.997 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.2472 E-12 cm3/molecule-sec
      Half-Life =     0.393 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.711 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.398 (Junge-Pankow, Mackay avg)
      0.997 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  7998  L/kg (MCI method)
      Log Koc:  3.903       (MCI method)
      Koc    :  2772  L/kg (Kow method)
      Log Koc:  3.443       (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 = 1.376 (BCF = 23.77 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3464 days (HL = 2.22 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.888 (BCF = 772)
   Log BAF Arnot-Gobas method (upper trophic) = 2.893 (BAF = 781.1)
       log Kow used: 4.67 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.61E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.342E+007  hours   (5.59E+005 days)
    Half-Life from Model Lake : 1.464E+008  hours   (6.098E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              64.58  percent
    Total biodegradation:        0.58  percent
    Total sludge adsorption:    63.99  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00136         9.42         1000       
   Water     15.2            360          1000       
   Soil      81.1            720          1000       
   Sediment  3.66            3.24e+003    0          
     Persistence Time: 809 hr