CAS Number: 1935-18-8
SMILES : CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)CN(H)(C)(C)C
CHEM   : 
MOL FOR: C23 H47 N1 O4 
MOL WT : 401.64
------------------------------ 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) =  5.10
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  619.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  268.65  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.66E-014  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.21E-012  (Modified Grain method)
    Subcooled liquid VP: 2.21E-011 mm Hg (25 deg C, Mod-Grain method)
                       : 2.95E-009 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.3295
       log Kow used: 5.10 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0015983 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.34E-019  atm-m3/mole  (4.40E-014 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:  7.474E-014 atm-m3/mole  (7.573E-009 Pa-m3/mole)
      VP:   4.66E-014 mm Hg (source: MPBPVP)
      WS:   0.33 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.10  (KowWin est)
  Log Kaw used:  -16.751  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.851
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9116
   Biowin2 (Non-Linear Model)     :   0.9796
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1148  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1519  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7745
   Biowin6 (MITI Non-Linear Model):   0.8343
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3710
 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):  2.95E-009 Pa (2.21E-011 mm Hg)
  Log Koa (Koawin est  ): 21.851
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.02E+003 
       Octanol/air (Koa) model:  1.74E+009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  39.1849 E-12 cm3/molecule-sec
      Half-Life =     0.273 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.276 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5373  L/kg (MCI method)
      Log Koc:  3.730       (MCI method)
      Koc    :  666.7  L/kg (Kow method)
      Log Koc:  2.824       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.141E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.026  years  
  Kb Half-Life at pH 7:      10.259  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.850 (BCF = 70.79 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1703 days (HL = 0.6756 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.438 (BCF = 273.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.439 (BAF = 274.8)
       log Kow used: 5.10 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.34E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.704E+015  hours   (1.127E+014 days)
    Half-Life from Model Lake : 2.949E+016  hours   (1.229E+015 days)
 
 Removal In Wastewater Treatment:
    Total removal:              80.63  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    79.94  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       5.56e-007       6.55         1000       
   Water     15.5            360          1000       
   Soil      82              720          1000       
   Sediment  2.54            3.24e+003    0          
     Persistence Time: 801 hr